data_r7ksesf
# 
_audit.revision_id     1_0 
_audit.creation_date   2021-08-11 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7kse 
_cell.length_a      240.375 
_cell.length_b      53.352 
_cell.length_c      74.922 
_cell.angle_alpha   90.000 
_cell.angle_beta    100.000 
_cell.angle_gamma   90.000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9760 
# 
_entry.id   7kse 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7kse 
_symmetry.space_group_name_H-M   "C 1 2 1" 
_symmetry.Int_Tables_number      5 
# 
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.intensity_meas 
_refln.intensity_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 -80 0  3  o 3  -0.893871    1.3989      225.824   180          ?         ?            ?         ?            
1 1 1 -80 0  4  o 11 -4.92396     1.84423     109.607   0            ?         ?            ?         ?            
1 1 1 -80 0  5  o 18 1.31479      1.95578     228.62    180          ?         ?            ?         ?            
1 1 1 -79 1  1  o 5  0.971166     0.871185    215.985   -129.634     ?         ?            ?         ?            
1 1 1 -79 1  2  o 15 2.00999      1.13804     431.284   128.995      ?         ?            ?         ?            
1 1 1 -79 1  3  o 18 3.92914      1.66297     372.081   -11.6718     ?         ?            ?         ?            
1 1 1 -79 1  4  o 15 2.92617      1.16602     212.443   -129.008     ?         ?            ?         ?            
1 1 1 -79 1  5  o 1  -0.133797    0.970606    260.145   -44.0951     ?         ?            ?         ?            
1 1 1 -79 1  6  f 0  -1.31591     0.897349    217.086   -48.4296     ?         ?            ?         ?            
1 1 1 -79 1  7  o 11 1.62362      0.814309    342.082   14.688       ?         ?            ?         ?            
1 1 1 -79 1  8  o 10 0.573356     0.793596    197.877   172.982      ?         ?            ?         ?            
1 1 1 -78 0  1  o 18 2.38731      2.38631     599.86    180          63.1095   180          194.994   9.28765e-15  
1 1 1 -78 0  2  o 1  -5.6884      1.78359     67.8934   0            ?         ?            ?         ?            
1 1 1 -78 0  3  o 14 -0.654116    1.38672     297.435   180          ?         ?            ?         ?            
1 1 1 -78 0  4  o 1  5.05743      1.8132      308.355   180          ?         ?            ?         ?            
1 1 1 -78 0  5  o 10 3.057        1.14156     289.927   180          ?         ?            ?         ?            
1 1 1 -78 0  6  o 4  -0.842047    0.872081    167.353   180          ?         ?            ?         ?            
1 1 1 -78 0  7  o 6  0.0387531    0.999393    106.972   0            ?         ?            ?         ?            
1 1 1 -78 0  8  o 12 -3.1726      1.03246     288.926   0            ?         ?            ?         ?            
1 1 1 -78 0  9  o 1  0.766869     0.948426    151.692   0            ?         ?            ?         ?            
1 1 1 -78 2  1  o 14 4.82058      1.37944     375.628   175.567      ?         ?            ?         ?            
1 1 1 -78 2  2  o 7  -2.5764      0.950127    0.979399  1.53127      ?         ?            ?         ?            
1 1 1 -78 2  3  f 0  0.0851837    0.925462    237.994   167.183      ?         ?            ?         ?            
1 1 1 -78 2  4  o 6  2.76499      1.08729     171.606   142.138      ?         ?            ?         ?            
1 1 1 -78 2  5  o 10 3.34524      0.981162    234.052   90.4853      ?         ?            ?         ?            
1 1 1 -78 2  6  o 14 0.203195     0.854032    109.895   -81.5322     ?         ?            ?         ?            
1 1 1 -78 2  7  o 17 1.15296      0.891165    227.92    51.6584      ?         ?            ?         ?            
1 1 1 -78 2  8  o 11 0.180477     0.754489    431.981   7.81511      ?         ?            ?         ?            
1 1 1 -78 2  9  o 16 4.88994      0.916327    284.91    -80.8706     ?         ?            ?         ?            
1 1 1 -78 4  4  o 19 2.14012      0.760244    254.346   27.8247      ?         ?            ?         ?            
1 1 1 -78 4  5  o 18 3.42198      0.835791    23.8512   -17.6302     ?         ?            ?         ?            
1 1 1 -77 1  1  o 18 6.67505      1.40486     444.756   -33.3314     868.329   -33.3314     263.136   -33.3314     
1 1 1 -77 1  2  o 6  2.84296      1.11924     258.651   -36.4585     286.674   -36.4585     43.2632   -36.4585     
1 1 1 -77 1  3  o 7  0.235782     0.895454    218.916   -170.164     ?         ?            ?         ?            
1 1 1 -77 1  4  o 9  0.746546     0.700121    516.917   -25.9862     ?         ?            ?         ?            
1 1 1 -77 1  5  o 10 2.41618      0.830017    156.007   84.3375      ?         ?            ?         ?            
1 1 1 -77 1  6  o 1  1.57011      0.916101    324.377   97.6658      ?         ?            ?         ?            
1 1 1 -77 1  7  o 17 -0.130371    0.654792    407.426   -118.571     ?         ?            ?         ?            
1 1 1 -77 1  8  o 16 1.91471      0.686128    56.8569   38.4921      ?         ?            ?         ?            
1 1 1 -77 1  9  o 10 0.16692      0.638042    171.096   5.66422      ?         ?            ?         ?            
1 1 1 -77 1  10 o 10 1.74865      0.751842    297.974   -66.9518     ?         ?            ?         ?            
1 1 1 -77 3  1  o 10 3.08209      1.1156      223.028   -175.38      370.513   -175.38      101.266   -175.38      
1 1 1 -77 3  2  o 4  1.27146      1.10563     466.523   -157.634     ?         ?            ?         ?            
1 1 1 -77 3  3  o 8  4.16346      1.08676     376.992   134.778      ?         ?            ?         ?            
1 1 1 -77 3  4  o 17 4.31253      1.0865      296.819   -62.4378     ?         ?            ?         ?            
1 1 1 -77 3  5  o 10 4.98388      1.14222     416.615   -134.36      ?         ?            ?         ?            
1 1 1 -77 3  6  o 1  3.00419      0.994586    177.685   159.443      ?         ?            ?         ?            
1 1 1 -77 3  7  o 4  1.77926      0.946535    355.695   14.0371      ?         ?            ?         ?            
1 1 1 -77 3  8  o 19 -1.22197     0.80982     234.224   -130.377     ?         ?            ?         ?            
1 1 1 -77 3  9  o 1  4.80353      0.906215    169.827   83.3742      ?         ?            ?         ?            
1 1 1 -76 0  1  o 18 0.666439     1.11568     128.15    0            5.71411   180          52.9189   180          
1 1 1 -76 0  2  o 10 5.41176      1.31935     367.558   180          900.2     180          306.01    180          
1 1 1 -76 0  3  o 19 0.399925     0.947086    194.076   180          99.1343   3.7759e-15   125.808   1.48767e-15  
1 1 1 -76 0  4  o 4  0.424156     1.25884     92.8665   180          ?         ?            ?         ?            
1 1 1 -76 0  5  o 11 7.91461      1.37905     580.029   0            ?         ?            ?         ?            
1 1 1 -76 0  6  o 8  1.40474      1.00331     366.637   0            ?         ?            ?         ?            
1 1 1 -76 0  7  o 14 0.647393     0.99925     98.8451   0            ?         ?            ?         ?            
1 1 1 -76 0  8  o 13 -0.872584    1.24212     206.861   0            ?         ?            ?         ?            
1 1 1 -76 0  9  o 3  1.28781      0.952916    124.092   180          ?         ?            ?         ?            
1 1 1 -76 0  10 o 5  3.63896      1.04711     368.027   0            ?         ?            ?         ?            
1 1 1 -76 0  11 o 4  0.310796     0.829461    363.614   0            ?         ?            ?         ?            
1 1 1 -76 2  1  o 11 7.78799      1.0356      565.612   -7.50453     980.458   -7.50453     270.605   -7.50453     
1 1 1 -76 2  2  o 15 0.820418     0.828017    111.854   -102.221     44.0854   -102.221     21.5764   77.7793      
1 1 1 -76 2  3  o 9  2.6481       0.813395    441.077   -58.682      368.636   -58.682      11.9146   -58.682      
1 1 1 -76 2  4  o 18 3.61974      0.929992    205.513   -143.387     ?         ?            ?         ?            
1 1 1 -76 2  5  o 12 3.1524       0.765683    381.2     82.1487      ?         ?            ?         ?            
1 1 1 -76 2  6  o 8  1.14996      0.746441    237.712   3.44646      ?         ?            ?         ?            
1 1 1 -76 2  7  o 5  8.57699      0.942302    491.647   -116.719     ?         ?            ?         ?            
1 1 1 -76 2  8  o 11 0.0522406    0.629837    273.241   -168.067     ?         ?            ?         ?            
1 1 1 -76 2  9  o 4  0.119562     0.647261    158.672   -101.634     ?         ?            ?         ?            
1 1 1 -76 2  10 o 16 0.975381     0.789482    243.413   -33.9403     ?         ?            ?         ?            
1 1 1 -76 2  11 o 14 -0.365435    0.652525    347.458   -25.1        ?         ?            ?         ?            
1 1 1 -76 4  1  o 13 2.38735      1.02163     135.955   -179.535     303.048   -179.535     100.238   -179.535     
1 1 1 -76 4  2  o 16 -0.351501    0.862201    257.17    -6.59237     ?         ?            ?         ?            
1 1 1 -76 4  3  o 10 3.89607      1.10273     288.893   -62.4222     ?         ?            ?         ?            
1 1 1 -76 4  4  o 7  0.754429     0.942295    209.862   154.123      ?         ?            ?         ?            
1 1 1 -76 4  5  o 10 2.88253      0.955692    81.9631   -167.564     ?         ?            ?         ?            
1 1 1 -76 4  6  o 9  4.43574      1.08929     484.846   -22.5144     ?         ?            ?         ?            
1 1 1 -76 4  7  f 0  3.06593      0.958929    174.446   -123.975     ?         ?            ?         ?            
1 1 1 -76 4  8  o 15 2.71191      0.98426     436.809   72.5851      ?         ?            ?         ?            
1 1 1 -76 4  9  o 1  0.325183     0.729446    100.418   -14.5458     ?         ?            ?         ?            
1 1 1 -75 1  1  o 1  6.16764      0.971356    536.405   163.581      766.089   163.581      171.729   163.581      
1 1 1 -75 1  2  o 19 1.00122      0.72412     179.596   -130.402     30.9462   49.5985      86.4955   49.5985      
1 1 1 -75 1  3  o 13 2.43355      0.841449    213.942   -95.1296     290.997   -95.1296     60.67     -95.1296     
1 1 1 -75 1  4  o 2  0.106486     0.659707    180.919   -133.764     73.858    46.2359      108.737   46.2359      
1 1 1 -75 1  5  o 7  1.62222      0.805829    588.287   -118.977     ?         ?            ?         ?            
1 1 1 -75 1  6  o 17 -0.082227    0.722215    261.599   119.063      ?         ?            ?         ?            
1 1 1 -75 1  7  o 7  3.49447      0.762399    382.201   65.5871      ?         ?            ?         ?            
1 1 1 -75 1  8  o 17 1.61186      0.672327    343.145   177.982      ?         ?            ?         ?            
1 1 1 -75 1  9  o 2  -0.0671012   0.609464    331.376   142.334      ?         ?            ?         ?            
1 1 1 -75 1  10 o 7  3.4939       0.82352     347.654   146.825      ?         ?            ?         ?            
1 1 1 -75 1  11 o 16 2.58467      0.666441    129.396   -54.2091     ?         ?            ?         ?            
1 1 1 -75 1  12 o 13 -0.156467    0.582945    157.313   -178.866     ?         ?            ?         ?            
1 1 1 -75 3  1  f 0  5.64179      0.956363    347.497   142.652      798.825   142.652      263.924   142.652      
1 1 1 -75 3  2  o 2  3.79399      0.953252    700.67    26.7796      391.762   26.7796      78.2977   -153.22      
1 1 1 -75 3  3  o 14 4.85803      0.841166    470.189   -11.7995     673.212   -11.7995     152.241   -11.7995     
1 1 1 -75 3  4  o 19 0.712936     0.694044    96.2313   40.355       ?         ?            ?         ?            
1 1 1 -75 3  5  o 4  1.5977       0.743683    682.539   -49.7562     ?         ?            ?         ?            
1 1 1 -75 3  6  o 3  5.3722       0.814354    349.37    178.692      ?         ?            ?         ?            
1 1 1 -75 3  7  o 1  3.62381      0.894913    530.485   116.176      ?         ?            ?         ?            
1 1 1 -75 3  8  o 7  0.40763      0.617753    281.285   -26.272      ?         ?            ?         ?            
1 1 1 -75 3  9  f 0  5.42138      0.87309     378.628   -100.995     ?         ?            ?         ?            
1 1 1 -75 3  10 o 1  0.34121      0.732673    242.425   -62.7011     ?         ?            ?         ?            
1 1 1 -75 3  11 o 12 2.45996      0.869571    64.6457   45.0002      ?         ?            ?         ?            
1 1 1 -75 5  1  o 10 2.17882      0.977693    232.853   -17.4653     294.535   -17.4653     59.7028   -17.4653     
1 1 1 -75 5  2  o 9  0.612838     0.90336     285.3     -167.353     ?         ?            ?         ?            
1 1 1 -75 5  3  o 19 2.59002      1.06734     387.986   153.207      ?         ?            ?         ?            
1 1 1 -75 5  4  o 2  7.82129      1.22514     667.075   -125.852     ?         ?            ?         ?            
1 1 1 -75 5  5  o 6  4.20146      1.07488     329.324   -15.2462     ?         ?            ?         ?            
1 1 1 -75 5  6  o 19 2.97537      1.049       322.171   134.514      ?         ?            ?         ?            
1 1 1 -75 5  7  o 10 3.06323      1.11146     150.12    -12.005      ?         ?            ?         ?            
1 1 1 -75 5  8  o 9  0.950782     0.782684    223.47    16.6582      ?         ?            ?         ?            
1 1 1 -75 5  9  f 0  3.15063      0.819277    142.28    150.316      ?         ?            ?         ?            
1 1 1 -74 0  1  o 15 5.05494      1.2377      476.012   0            782.136   0            200.762   0            
1 1 1 -74 0  2  o 4  -0.859535    0.866885    377.593   0            ?         ?            ?         ?            
1 1 1 -74 0  3  o 8  2.47199      0.997784    180.741   180          230.929   180          42.4355   180          
1 1 1 -74 0  4  o 5  -2.18196     1.00539     184.876   0            131.369   180          140.497   180          
1 1 1 -74 0  5  o 10 2.83194      1.08658     189.053   180          329.902   180          88.561    180          
1 1 1 -74 0  6  o 6  0.237683     0.927202    106.93    0            ?         ?            ?         ?            
1 1 1 -74 0  7  o 14 1.53991      1.2012      438.971   180          ?         ?            ?         ?            
1 1 1 -74 0  8  o 1  1.02158      1.2614      318.789   180          ?         ?            ?         ?            
1 1 1 -74 0  9  o 7  -0.792672    0.849676    87.2421   180          ?         ?            ?         ?            
1 1 1 -74 0  10 o 14 -0.390007    0.876887    361.732   180          ?         ?            ?         ?            
1 1 1 -74 0  11 o 18 10.3695      1.28839     568.746   180          ?         ?            ?         ?            
1 1 1 -74 0  12 f 0  0.76675      0.865726    98.6867   180          ?         ?            ?         ?            
1 1 1 -74 0  13 o 12 4.67156      1.00592     385.9     0            ?         ?            ?         ?            
1 1 1 -74 2  1  o 14 1.31149      0.74797     112.039   142.336      61.8431   142.336      13.5181   -37.6644     
1 1 1 -74 2  2  o 2  0.510051     0.824129    224.039   -4.93263     61.3205   175.067      119.965   175.067      
1 1 1 -74 2  3  o 13 1.24608      0.761122    171.661   114.605      45.5605   114.605      45.8787   -65.3951     
1 1 1 -74 2  4  o 8  4.00381      0.945148    340.129   -33.7913     555.653   -33.7913     141.62    -33.7913     
1 1 1 -74 2  5  o 7  3.26196      0.82812     303.811   -35.6283     509.381   -35.6283     133.173   -35.6283     
1 1 1 -74 2  6  o 19 0.494643     0.725314    119       -111.698     ?         ?            ?         ?            
1 1 1 -74 2  7  o 3  6.43395      0.859216    372.096   -48.4532     ?         ?            ?         ?            
1 1 1 -74 2  8  o 11 1.29563      0.662832    299.191   13.7795      ?         ?            ?         ?            
1 1 1 -74 2  9  o 1  1.21772      0.652631    366.841   122.251      ?         ?            ?         ?            
1 1 1 -74 2  10 o 4  8.79871      0.880634    501.803   -159.366     ?         ?            ?         ?            
1 1 1 -74 2  11 o 17 1.95678      0.610522    121.298   52.4298      ?         ?            ?         ?            
1 1 1 -74 2  12 o 1  2.71139      0.757844    339.043   110.56       ?         ?            ?         ?            
1 1 1 -74 2  13 o 2  -0.585685    0.684799    183.868   -8.91125     ?         ?            ?         ?            
1 1 1 -74 4  1  o 17 8.34019      0.991847    692.948   -60.1679     901.069   -60.1679     180.158   -60.1679     
1 1 1 -74 4  2  o 17 1.01186      0.716295    388.478   141.74       49.1177   141.74       127.544   -38.2596     
1 1 1 -74 4  3  o 16 7.14114      0.937874    595.684   103.47       892.118   103.47       212.37    103.47       
1 1 1 -74 4  4  o 6  6.6482       0.9059      544.826   28.1827      ?         ?            ?         ?            
1 1 1 -74 4  5  o 10 1.00429      0.694468    419.906   176.919      ?         ?            ?         ?            
1 1 1 -74 4  6  o 1  2.25657      0.715796    550.254   159.023      ?         ?            ?         ?            
1 1 1 -74 4  7  o 3  7.80153      0.847431    503.142   -16.8815     ?         ?            ?         ?            
1 1 1 -74 4  8  o 7  1.07382      0.719343    174.282   -147.629     ?         ?            ?         ?            
1 1 1 -74 4  9  o 2  8.73765      1.07458     204.972   -49.5883     ?         ?            ?         ?            
1 1 1 -74 4  10 o 4  0.937182     0.782501    117.734   -108.444     ?         ?            ?         ?            
1 1 1 -74 4  11 o 6  1.52882      0.78439     193.129   -144.896     ?         ?            ?         ?            
1 1 1 -74 6  1  o 15 2.25048      0.874235    266.411   112.172      ?         ?            ?         ?            
1 1 1 -74 6  2  o 4  6.37194      1.02993     458.91    80.2199      ?         ?            ?         ?            
1 1 1 -74 6  3  o 8  2.90809      0.984958    209.02    96.8815      ?         ?            ?         ?            
1 1 1 -74 6  4  o 19 2.9523       1.00448     162.379   -60.5552     ?         ?            ?         ?            
1 1 1 -74 6  5  o 1  3.6608       1.04794     602.479   -124.854     ?         ?            ?         ?            
1 1 1 -74 6  6  o 5  0.841967     0.924955    61.2111   106.367      ?         ?            ?         ?            
1 1 1 -74 6  7  o 1  0.2121       0.71901     208.744   -4.26833     ?         ?            ?         ?            
1 1 1 -74 6  8  o 4  -0.349636    0.630338    95.6999   -12.5872     ?         ?            ?         ?            
1 1 1 -73 1  1  o 4  0.588716     0.688549    463.035   16.7078      132.27    -163.292     254.457   -163.292     
1 1 1 -73 1  2  f 0  0.27585      0.69024     300.384   118.397      137.185   -61.6026     191.784   -61.6026     
1 1 1 -73 1  3  o 6  2.23144      0.811481    365.971   69.0903      263.84    69.0903      18.9617   -110.91      
1 1 1 -73 1  4  o 13 5.14412      0.791602    542.095   139.453      615.571   139.453      83.916    139.453      
1 1 1 -73 1  5  o 16 1.65083      0.760156    531.199   45.0136      77.7297   45.0136      180.058   -134.986     
1 1 1 -73 1  6  f 0  0.966252     0.743388    152.007   -1.16385     ?         ?            ?         ?            
1 1 1 -73 1  7  o 19 1.25697      0.645948    321.314   -152.957     ?         ?            ?         ?            
1 1 1 -73 1  8  o 12 8.68197      0.887732    515.829   -45.768      ?         ?            ?         ?            
1 1 1 -73 1  9  f 0  0.894965     0.638266    442.282   -63.807      ?         ?            ?         ?            
1 1 1 -73 1  10 o 4  3.09192      0.775177    302.118   21.345       ?         ?            ?         ?            
1 1 1 -73 1  11 o 17 1.61318      0.626863    393.666   -101.923     ?         ?            ?         ?            
1 1 1 -73 1  12 o 1  2.45704      0.648527    347.223   -72.4836     ?         ?            ?         ?            
1 1 1 -73 1  13 o 4  2.24932      0.623361    497.337   152.927      ?         ?            ?         ?            
1 1 1 -73 3  1  o 7  3.00369      0.900549    490.252   48.5567      342.947   48.5567      23.8628   -131.443     
1 1 1 -73 3  2  o 1  3.00252      0.906912    439.678   -145.828     391.75    -145.828     19.6998   -145.828     
1 1 1 -73 3  3  o 9  0.401034     0.703554    268.658   -166.325     59.5509   13.6746      137.83    13.6746      
1 1 1 -73 3  4  o 1  16.745       1.22103     865.847   143.83       1488.7    143.83       395.676   143.83       
1 1 1 -73 3  5  f 0  5.43441      0.896482    668.041   126.137      567.284   126.137      15.0263   126.137      
1 1 1 -73 3  6  o 4  8.13821      0.95293     812.258   11.7981      ?         ?            ?         ?            
1 1 1 -73 3  7  o 9  4.13322      0.837937    171.965   -173.429     ?         ?            ?         ?            
1 1 1 -73 3  8  o 15 4.08412      0.749453    208.667   -111.401     ?         ?            ?         ?            
1 1 1 -73 3  9  o 6  3.26228      0.692202    478.591   75.8281      ?         ?            ?         ?            
1 1 1 -73 3  10 o 16 1.04661      0.658006    342.395   29.977       ?         ?            ?         ?            
1 1 1 -73 3  11 o 16 1.65624      0.686571    171.032   -102.633     ?         ?            ?         ?            
1 1 1 -73 3  12 o 4  3.62272      0.808668    340.962   -100.997     ?         ?            ?         ?            
1 1 1 -73 3  13 o 17 2.22166      0.733986    316.408   55.8608      ?         ?            ?         ?            
1 1 1 -73 5  1  o 13 5.81989      0.965294    369.619   106.034      846.803   106.034      279.52    106.034      
1 1 1 -73 5  2  o 7  5.9714       0.922142    318.221   -102.408     883.655   -102.408     317.498   -102.408     
1 1 1 -73 5  3  o 14 6.78914      0.882643    696.181   -6.68073     796.711   -6.68073     125.821   -6.68073     
1 1 1 -73 5  4  o 3  15.3488      1.09285     805.978   78.0757      ?         ?            ?         ?            
1 1 1 -73 5  5  o 11 3.99865      0.760632    469.597   86.3875      ?         ?            ?         ?            
1 1 1 -73 5  6  o 6  13.2565      1.01615     844.39    -55.3889     ?         ?            ?         ?            
1 1 1 -73 5  7  o 14 3.35005      0.800104    531.068   161.029      ?         ?            ?         ?            
1 1 1 -73 5  8  o 10 1.39273      0.81787     71.4595   130.008      ?         ?            ?         ?            
1 1 1 -73 5  9  o 16 0.427344     0.834464    166.256   118.659      ?         ?            ?         ?            
1 1 1 -73 5  10 o 14 2.23855      0.955283    61.9202   26.0117      ?         ?            ?         ?            
1 1 1 -73 5  11 o 9  4.35472      0.868656    345.113   -73.8486     ?         ?            ?         ?            
1 1 1 -73 7  1  o 11 0.235222     0.876656    329.029   160.271      ?         ?            ?         ?            
1 1 1 -73 7  2  o 6  1.18548      0.776573    340.52    -134.763     ?         ?            ?         ?            
1 1 1 -73 7  3  o 12 2.65604      0.855259    165.574   81.0796      ?         ?            ?         ?            
1 1 1 -73 7  4  o 19 1.79961      0.837839    329.507   107.005      ?         ?            ?         ?            
1 1 1 -73 7  5  o 15 3.19062      0.902062    266.718   -166.216     ?         ?            ?         ?            
1 1 1 -73 7  6  o 6  2.91695      0.850792    552.096   -94.273      ?         ?            ?         ?            
1 1 1 -72 0  1  o 18 14.6645      1.55961     933.802   180          1309.02   180          263.457   180          
1 1 1 -72 0  2  o 15 0.479068     0.943326    483.738   0            ?         ?            ?         ?            
1 1 1 -72 0  3  o 17 3.2168       1.07665     317.035   0            423.586   0            76.9671   0            
1 1 1 -72 0  4  o 17 -2.33114     1.17349     138.398   0            100.254   180          109.079   180          
1 1 1 -72 0  5  o 1  -0.176566    0.932491    301.34    180          201.554   1.89847e-15  228.821   8.36124e-16  
1 1 1 -72 0  6  o 17 5.80542      1.23034     327.504   180          917.55    180          320.521   180          
1 1 1 -72 0  7  o 11 0.11395      0.931926    145.725   0            ?         ?            ?         ?            
1 1 1 -72 0  8  o 8  0.955562     1.08812     88.078    180          ?         ?            ?         ?            
1 1 1 -72 0  9  o 6  2.63483      0.954302    219.672   0            ?         ?            ?         ?            
1 1 1 -72 0  10 o 19 2.23767      0.960122    359.254   0            ?         ?            ?         ?            
1 1 1 -72 0  11 o 13 0.806055     0.835574    83.0247   180          ?         ?            ?         ?            
1 1 1 -72 0  12 o 7  0.522546     0.776348    349.765   180          ?         ?            ?         ?            
1 1 1 -72 0  13 o 19 0.375445     0.77859     424.795   180          ?         ?            ?         ?            
1 1 1 -72 0  14 o 11 2.55602      0.856062    509.938   180          ?         ?            ?         ?            
1 1 1 -72 2  1  o 14 1.89245      0.720178    822.827   -140.134     423.334   39.8657      551.176   39.8657      
1 1 1 -72 2  2  o 13 4.70669      0.867682    349.321   -12.3242     664.303   -12.3242     186.69    -12.3242     
1 1 1 -72 2  3  o 2  5.20249      0.806348    350.332   107.964      736.943   107.964      221.78    107.964      
1 1 1 -72 2  4  o 13 0.776901     0.729136    154.906   31.3389      90.7151   -148.661     110.324   -148.661     
1 1 1 -72 2  5  o 19 1.97666      0.672556    445.574   148.353      117.53    148.353      127.654   -31.6466     
1 1 1 -72 2  6  o 18 5.33557      0.870067    491.586   165.406      710.335   165.406      150.794   165.406      
1 1 1 -72 2  7  f 0  2.045        0.699744    54.08     121.13       ?         ?            ?         ?            
1 1 1 -72 2  8  o 9  12.1694      1.05563     817.636   149.3        ?         ?            ?         ?            
1 1 1 -72 2  9  o 11 2.07179      0.680401    348.847   0.33989      ?         ?            ?         ?            
1 1 1 -72 2  10 o 1  2.96736      0.677717    362.549   25.0039      ?         ?            ?         ?            
1 1 1 -72 2  11 o 3  2.07612      0.637201    398.873   40.5206      ?         ?            ?         ?            
1 1 1 -72 2  12 o 13 0.974495     0.695796    171.588   -99.9271     ?         ?            ?         ?            
1 1 1 -72 2  13 o 6  -0.0786252   0.552554    441.267   -107.118     ?         ?            ?         ?            
1 1 1 -72 2  14 o 12 2.02955      0.630359    145.005   -53.1038     ?         ?            ?         ?            
1 1 1 -72 4  1  o 2  -0.269906    0.688607    629.285   169.285      359.535   -10.7151     430.659   -10.7151     
1 1 1 -72 4  2  o 10 3.76225      0.848732    507.441   -9.28411     324.374   -9.28411     41.2626   170.716      
1 1 1 -72 4  3  o 12 1.73688      0.838661    387.106   -120.119     182.975   -120.119     64.2856   59.8813      
1 1 1 -72 4  4  o 14 10.6326      1.00417     829.854   -97.1752     1054.17   -97.1752     192.784   -97.1752     
1 1 1 -72 4  5  o 17 15.5267      1.14704     933.322   -29.5992     1357.3    -29.5992     303.285   -29.5992     
1 1 1 -72 4  6  o 12 9.96867      0.963509    524.945   -170.421     ?         ?            ?         ?            
1 1 1 -72 4  7  o 4  2.38997      0.751083    272.65    46.2106      ?         ?            ?         ?            
1 1 1 -72 4  8  o 1  2.52135      0.735212    33.0122   -24.0715     ?         ?            ?         ?            
1 1 1 -72 4  9  o 9  1.78313      0.686007    276.167   86.5188      ?         ?            ?         ?            
1 1 1 -72 4  10 o 19 2.78416      0.759092    579.135   100.878      ?         ?            ?         ?            
1 1 1 -72 4  11 o 13 3.34147      0.901188    309.892   150.319      ?         ?            ?         ?            
1 1 1 -72 4  12 o 19 0.98041      0.809572    257.782   -149.014     ?         ?            ?         ?            
1 1 1 -72 4  13 o 10 1.79146      0.784254    276.504   12.6774      ?         ?            ?         ?            
1 1 1 -72 6  1  o 4  0.836349     0.792354    217.316   3.40767      74.4497   3.40767      46.8169   -176.592     
1 1 1 -72 6  2  o 16 5.72972      0.999299    619.813   -72.907      711.836   -72.907      115.105   -72.907      
1 1 1 -72 6  3  o 19 1.20294      0.839054    513.864   -137.952     40.5235   -137.952     179.855   42.048       
1 1 1 -72 6  4  o 3  0.40405      0.741044    56.6646   -161.983     ?         ?            ?         ?            
1 1 1 -72 6  5  o 6  1.87216      0.790427    256.735   35.6439      ?         ?            ?         ?            
1 1 1 -72 6  6  o 14 6.25241      0.910438    668.414   85.4583      ?         ?            ?         ?            
1 1 1 -72 6  7  o 8  2.61508      0.983991    487.764   -159.666     ?         ?            ?         ?            
1 1 1 -72 6  8  o 14 0.525738     0.906164    115.599   -92.2934     ?         ?            ?         ?            
1 1 1 -72 6  9  o 6  2.20336      1.0705      346.163   18.7924      ?         ?            ?         ?            
1 1 1 -72 6  10 o 1  -0.921324    0.664555    227.394   -179.959     ?         ?            ?         ?            
1 1 1 -71 1  1  f 0  2.74764      0.748487    134.164   43.9167      218.29    43.9167      51.5895   43.9167      
1 1 1 -71 1  2  f 0  4.38805      0.800452    487.617   -93.8165     562.82    -93.8165     70.2618   -93.8165     
1 1 1 -71 1  3  o 10 0.0253649    0.757445    395.774   27.5063      200.565   -152.494     272.555   -152.494     
1 1 1 -71 1  4  o 3  2.11174      0.732071    261.327   -52.2698     69.2509   -52.2698     79.2745   127.73       
1 1 1 -71 1  5  o 2  3.09122      0.790375    439.072   -76.816      385.603   -76.816      1.91219   -76.816      
1 1 1 -71 1  6  o 14 4.14927      0.898056    163.542   9.53818      460.842   9.53818      159.78    9.53818      
1 1 1 -71 1  7  o 6  2.07868      0.702937    422.799   -65.5838     181.918   -65.5838     89.7261   114.416      
1 1 1 -71 1  8  o 5  -0.747493    0.596178    147.896   153.693      ?         ?            ?         ?            
1 1 1 -71 1  9  o 14 2.78079      0.693354    588.643   179.266      ?         ?            ?         ?            
1 1 1 -71 1  10 o 15 0.957895     0.729787    283.165   174.442      ?         ?            ?         ?            
1 1 1 -71 1  11 o 11 3.57477      0.691149    517.168   -4.87814     ?         ?            ?         ?            
1 1 1 -71 1  12 o 2  2.79987      0.661502    241.168   86.9087      ?         ?            ?         ?            
1 1 1 -71 1  13 o 15 0.889082     0.554167    226.807   -72.3234     ?         ?            ?         ?            
1 1 1 -71 1  14 o 1  1.81892      0.632838    320.247   2.27838      ?         ?            ?         ?            
1 1 1 -71 1  15 o 16 -0.0988141   0.526769    269.957   -164.594     ?         ?            ?         ?            
1 1 1 -71 3  1  o 15 1.277        0.75816     390.922   -37.5971     23.0122   -37.5971     151.097   142.403      
1 1 1 -71 3  2  o 16 8.13214      1.00306     496.645   116.746      984.869   116.746      283.927   116.746      
1 1 1 -71 3  3  o 19 1.74247      0.714471    474.835   10.8095      4.04928   10.8095      198.414   -169.191     
1 1 1 -71 3  4  o 2  1.63994      0.772819    76.1145   -53.318      51.7788   -53.318      6.28508   126.682      
1 1 1 -71 3  5  o 3  17.348       1.16574     300.66    -117.552     1817.38   -117.552     781.938   -117.552     
1 1 1 -71 3  6  o 16 2.82614      0.725169    561.688   -84.7338     271.818   -84.7338     99.3119   95.2662      
1 1 1 -71 3  7  f 0  1.42015      0.652953    258.033   -136.111     ?         ?            ?         ?            
1 1 1 -71 3  8  o 8  8.57971      0.911511    275.675   -41.7041     ?         ?            ?         ?            
1 1 1 -71 3  9  o 18 4.12019      0.800467    438.676   -143.545     ?         ?            ?         ?            
1 1 1 -71 3  10 o 16 0.209659     0.722195    237.445   -128.37      ?         ?            ?         ?            
1 1 1 -71 3  11 o 6  2.61025      0.745585    154.881   62.4593      ?         ?            ?         ?            
1 1 1 -71 3  12 o 13 5.46315      0.836158    660.033   97.3472      ?         ?            ?         ?            
1 1 1 -71 3  13 o 15 1.12101      0.579987    148.285   -168.955     ?         ?            ?         ?            
1 1 1 -71 3  14 o 1  1.08193      0.81684     231.42    -20.8392     ?         ?            ?         ?            
1 1 1 -71 5  1  o 8  1.04952      0.719289    441.462   -45.0141     32.0627   134.986      191.424   134.986      
1 1 1 -71 5  2  o 17 2.61197      0.740429    452.779   127.867      371.03    127.867      4.74572   127.867      
1 1 1 -71 5  3  o 5  -1.39387     0.587385    308.68    154.352      226.504   -25.648      236.881   -25.648      
1 1 1 -71 5  4  o 12 5.66294      0.831096    602.015   -82.5196     714.735   -82.5196     116.051   -82.5196     
1 1 1 -71 5  5  o 8  3.38017      0.770383    607.465   -164.971     396.753   -164.971     44.7328   15.0288      
1 1 1 -71 5  6  o 6  0.698057     0.664692    300.555   10.6931      ?         ?            ?         ?            
1 1 1 -71 5  7  o 9  2.13707      0.735421    257.682   146.178      ?         ?            ?         ?            
1 1 1 -71 5  8  o 9  6.74518      0.903054    248.394   -22.3028     ?         ?            ?         ?            
1 1 1 -71 5  9  o 15 -0.737822    0.539557    147.683   -62.4968     ?         ?            ?         ?            
1 1 1 -71 5  10 o 11 -0.0477263   0.620542    189.95    39.2996      ?         ?            ?         ?            
1 1 1 -71 5  11 o 16 1.07566      0.773109    586.27    82.5851      ?         ?            ?         ?            
1 1 1 -71 5  12 o 14 1.54856      0.725039    33.1588   160.342      ?         ?            ?         ?            
1 1 1 -71 7  1  o 1  3.86229      0.885704    139.437   -137.996     610.906   -137.996     252.279   -137.996     
1 1 1 -71 7  2  o 15 0.826537     0.822045    384.84    82.2155      35.4445   82.2155      129.983   -97.7845     
1 1 1 -71 7  3  o 16 -0.20117     0.686047    288.418   -118.682     ?         ?            ?         ?            
1 1 1 -71 7  4  o 11 1.0253       0.745053    163.895   -55.3776     ?         ?            ?         ?            
1 1 1 -71 7  5  o 14 2.37162      0.871141    65.3477   -92.0811     ?         ?            ?         ?            
1 1 1 -71 7  6  o 7  0.73732      0.854072    366.343   161.53       ?         ?            ?         ?            
1 1 1 -71 7  7  o 4  0.125353     0.890869    87.8002   39.6482      ?         ?            ?         ?            
1 1 1 -71 7  8  o 12 1.94153      1.00877     128.243   144.606      ?         ?            ?         ?            
1 1 1 -71 7  9  o 8  1.1781       0.743057    303.921   144.636      ?         ?            ?         ?            
1 1 1 -70 0  1  o 19 4.70597      1.31679     595.353   0            474.472   0            25.769    180          
1 1 1 -70 0  2  o 16 31.2317      2.27001     902.338   180          2273.87   180          735.324   180          
1 1 1 -70 0  3  o 12 2.35591      1.04505     195.242   180          34.3401   180          70.0665   1.04556e-14  
1 1 1 -70 0  4  o 1  1.28936      1.274       50.3712   0            15.1038   180          30.0772   180          
1 1 1 -70 0  5  o 5  0.567375     1.01709     374.509   180          180.797   5.95554e-15  257.525   2.09057e-15  
1 1 1 -70 0  6  o 10 5.66376      1.33679     267.843   0            788.147   0            275.182   0            
1 1 1 -70 0  7  o 8  1.48678      0.998039    569.088   180          94.6514   3.00928e-14  297.618   4.78519e-15  
1 1 1 -70 0  8  o 17 3.95823      1.60757     459.329   0            458.724   0            30.1293   0            
1 1 1 -70 0  9  o 14 4.61592      1.17774     466.576   180          ?         ?            ?         ?            
1 1 1 -70 0  10 o 6  0.246903     0.861164    286.511   180          ?         ?            ?         ?            
1 1 1 -70 0  11 o 8  6.75564      1.08252     624.417   180          ?         ?            ?         ?            
1 1 1 -70 0  12 o 3  7.18247      1.13851     946.278   0            ?         ?            ?         ?            
1 1 1 -70 0  13 o 6  6.01477      1.00962     604.782   0            ?         ?            ?         ?            
1 1 1 -70 0  14 o 9  0.101508     0.705152    43.9105   180          ?         ?            ?         ?            
1 1 1 -70 0  15 o 3  0.94156      0.72469     50.6094   180          ?         ?            ?         ?            
1 1 1 -70 2  1  o 13 0.791231     0.694411    190.392   40.9288      126.769   -139.071     146.335   -139.071     
1 1 1 -70 2  2  o 5  0.886439     0.802868    550.475   139.408      ?         ?            ?         ?            
1 1 1 -70 2  3  o 4  2.73573      0.777299    611.902   -75.7583     181.785   -75.7583     179.193   104.242      
1 1 1 -70 2  4  o 17 1.47618      0.798696    456.664   96.4731      30.2354   -83.5269     216.883   -83.5269     
1 1 1 -70 2  5  o 2  5.89732      0.886439    466.109   -59.2401     618.148   -59.2401     103.641   -59.2401     
1 1 1 -70 2  6  o 15 -0.679454    0.588461    254.157   -168.685     ?         ?            ?         ?            
1 1 1 -70 2  7  o 16 2.01798      0.710412    463.476   72.1261      155.763   72.1261      123.061   -107.874     
1 1 1 -70 2  8  o 17 4.15686      0.790607    753.235   -47.1458     ?         ?            ?         ?            
1 1 1 -70 2  9  o 15 0.882875     0.683272    109.159   -33.8514     ?         ?            ?         ?            
1 1 1 -70 2  10 o 13 5.579        0.825611    538.98    -168.93      ?         ?            ?         ?            
1 1 1 -70 2  11 o 7  0.132116     0.579197    296.12    -69.3786     ?         ?            ?         ?            
1 1 1 -70 2  12 o 2  -0.542959    0.668924    274.965   -124.329     ?         ?            ?         ?            
1 1 1 -70 2  13 o 18 2.77387      0.690143    424.296   111.087      ?         ?            ?         ?            
1 1 1 -70 2  14 o 15 0.621366     0.59182     516.551   102.246      ?         ?            ?         ?            
1 1 1 -70 2  15 o 15 1.64201      0.610677    157.417   133.861      ?         ?            ?         ?            
1 1 1 -70 4  1  o 12 2.83668      0.73794     574.401   72.991       257.112   72.991       110.459   -107.009     
1 1 1 -70 4  2  o 14 3.1515       0.774797    525.094   -121.589     173.357   -121.59      133.815   58.4105      
1 1 1 -70 4  3  o 19 8.23113      0.93534     546.997   -47.9716     966.769   -47.9716     252.492   -47.9716     
1 1 1 -70 4  4  o 2  7.9921       0.914619    447.044   116.576      1011.55   116.576      316.853   116.576      
1 1 1 -70 4  5  o 6  1.78967      0.676638    399.592   138.315      157.654   138.315      89.555    -41.6846     
1 1 1 -70 4  6  o 5  0.676807     0.612401    52.1172   136.769      ?         ?            ?         ?            
1 1 1 -70 4  7  o 7  0.0317873    0.594988    165.957   -19.7825     ?         ?            ?         ?            
1 1 1 -70 4  8  o 5  1.94775      0.706611    285.814   150.123      ?         ?            ?         ?            
1 1 1 -70 4  9  o 6  7.5799       0.929635    646.901   -86.8058     ?         ?            ?         ?            
1 1 1 -70 4  10 f 0  3.72292      0.810382    175.748   -127.052     ?         ?            ?         ?            
1 1 1 -70 4  11 o 3  0.331049     0.594172    413.468   -68.1733     ?         ?            ?         ?            
1 1 1 -70 4  12 o 19 1.71323      0.588952    325.659   -86.6732     ?         ?            ?         ?            
1 1 1 -70 4  13 f 0  1.5437       0.707883    415.58    133.091      ?         ?            ?         ?            
1 1 1 -70 4  14 o 9  3.67516      0.802908    432.258   -145.138     ?         ?            ?         ?            
1 1 1 -70 6  1  o 16 7.08211      0.886875    295.684   84.5302      1013.06   84.5302      389.799   84.5302      
1 1 1 -70 6  2  o 3  -0.0696293   0.604331    287.722   -85.1645     199.638   94.8355      213.83    94.8355      
1 1 1 -70 6  3  o 18 1.38602      0.686672    355.772   2.40654      105.571   2.40654      88.523    -177.593     
1 1 1 -70 6  4  f 0  5.64431      0.850048    395.539   93.5858      827.948   93.5858      256.784   93.5858      
1 1 1 -70 6  5  o 12 6.24415      0.840258    337.987   -21.1663     ?         ?            ?         ?            
1 1 1 -70 6  6  o 13 1.80153      0.735608    349.055   -76.9716     ?         ?            ?         ?            
1 1 1 -70 6  7  o 14 -0.0692079   0.612737    407.032   -41.2629     ?         ?            ?         ?            
1 1 1 -70 6  8  o 2  1.48621      0.719905    453.56    -163.336     ?         ?            ?         ?            
1 1 1 -70 6  9  o 2  1.08174      0.670185    169.443   -118.756     ?         ?            ?         ?            
1 1 1 -70 6  10 o 19 1.24428      0.831017    334.764   73.8508      ?         ?            ?         ?            
1 1 1 -70 6  11 f 0  -0.570955    0.81094     343.475   -20.2366     ?         ?            ?         ?            
1 1 1 -70 6  12 o 9  2.22683      0.839524    273.368   165.346      ?         ?            ?         ?            
1 1 1 -70 8  1  o 18 1.35295      0.746951    106.554   41.5365      ?         ?            ?         ?            
1 1 1 -70 8  2  o 1  2.07564      0.777238    364.485   -117.355     ?         ?            ?         ?            
1 1 1 -70 8  3  o 2  4.81497      0.842478    345.604   -102.837     ?         ?            ?         ?            
1 1 1 -70 8  4  o 4  1.46144      0.93263     174.853   -8.7684      ?         ?            ?         ?            
1 1 1 -70 8  5  o 17 0.0258665    0.706219    205.832   88.4811      ?         ?            ?         ?            
1 1 1 -70 8  6  o 3  0.452098     0.756477    320.508   -19.1501     ?         ?            ?         ?            
1 1 1 -70 8  7  o 14 0.994747     0.732534    193.479   154.756      ?         ?            ?         ?            
1 1 1 -70 8  8  o 19 1.58172      0.969263    101.728   -80.9984     ?         ?            ?         ?            
1 1 1 -69 1  1  o 16 25.5259      1.48374     493.376   160.751      2148.49   160.751      852.478   160.751      
1 1 1 -69 1  2  o 7  2.06603      0.719051    307.598   -22.6283     3.29192   157.372      140.654   157.372      
1 1 1 -69 1  3  o 10 4.00583      0.841505    328.737   -122.394     447.726   -122.394     74.9123   -122.394     
1 1 1 -69 1  4  o 1  10.9314      1.05209     712.322   -37.8017     1035.43   -37.8017     194.811   -37.8017     
1 1 1 -69 1  5  o 1  0.652251     0.64139     12.5736   -142.9       3.64528   37.1         7.51349   37.1         
1 1 1 -69 1  6  o 8  13.449       1.17828     1055.81   -177.625     982.904   -177.625     15.4881   -177.625     
1 1 1 -69 1  7  o 12 1.28261      0.623045    376.177   -24.8195     18.8996   155.181      177.807   155.181      
1 1 1 -69 1  8  o 7  7.97899      0.931466    623.905   79.6576      869.357   79.6576      158.702   79.6576      
1 1 1 -69 1  9  o 15 6.85618      0.877661    902.201   -41.3665     ?         ?            ?         ?            
1 1 1 -69 1  10 o 9  3.68147      0.967041    296.929   56.6314      ?         ?            ?         ?            
1 1 1 -69 1  11 o 4  4.24722      0.783327    664.764   -176.71      ?         ?            ?         ?            
1 1 1 -69 1  12 o 18 2.58424      0.676423    209.824   142.816      ?         ?            ?         ?            
1 1 1 -69 1  13 o 7  -0.0235372   0.575233    118.662   -45.4936     ?         ?            ?         ?            
1 1 1 -69 1  14 o 5  1.07994      0.629404    210.093   50.1729      ?         ?            ?         ?            
1 1 1 -69 1  15 o 4  0.867523     0.603379    311.563   23.7788      ?         ?            ?         ?            
1 1 1 -69 1  16 o 7  0.507873     0.524252    131.079   -155.978     ?         ?            ?         ?            
1 1 1 -69 3  1  o 9  0.575418     0.781059    252.686   1.28865      59.0412   -178.711     140.4     -178.711     
1 1 1 -69 3  2  o 5  -0.257683    0.745406    295.041   -63.8392     247.652   116.161      254.308   116.161      
1 1 1 -69 3  3  o 4  3.20248      0.802913    385.353   126.902      310.118   126.902      16.058    -53.0984     
1 1 1 -69 3  4  o 14 6.58626      0.915963    801.601   -66.5833     554.312   -66.5833     79.0639   113.417      
1 1 1 -69 3  5  o 9  14.7491      1.22688     890.203   105.008      1134.5    105.008      172.632   105.008      
1 1 1 -69 3  6  o 6  2.21048      0.721539    369.356   32.0441      161.926   32.0441      81.7897   -147.956     
1 1 1 -69 3  7  o 16 1.12059      0.710832    296.489   6.56302      12.6545   6.56302      123.006   -173.437     
1 1 1 -69 3  8  o 7  0.47521      0.652793    148.319   12.1445      74.5776   -167.856     101.041   -167.856     
1 1 1 -69 3  9  o 9  9.43519      0.99404     677.343   74.0934      ?         ?            ?         ?            
1 1 1 -69 3  10 o 12 2.75407      0.66474     325.418   5.29025      ?         ?            ?         ?            
1 1 1 -69 3  11 o 16 2.36644      0.676777    55.1142   85.7976      ?         ?            ?         ?            
1 1 1 -69 3  12 o 10 -0.326763    0.467404    206.734   -62.1932     ?         ?            ?         ?            
1 1 1 -69 3  13 o 17 2.50508      0.603343    360.629   -50.8824     ?         ?            ?         ?            
1 1 1 -69 3  14 o 3  1.38211      0.697837    85.3813   174.325      ?         ?            ?         ?            
1 1 1 -69 3  15 o 15 -0.00423573  0.530898    292.456   175.732      ?         ?            ?         ?            
1 1 1 -69 5  1  o 15 3.00954      0.752366    688.452   -167.102     175.439   -167.102     196.665   12.8984      
1 1 1 -69 5  2  o 18 0.164377     0.655584    568.554   67.8856      ?         ?            ?         ?            
1 1 1 -69 5  3  o 18 1.14284      0.680358    242.105   150.948      40.6183   150.948      81.0569   -29.0521     
1 1 1 -69 5  4  o 4  1.26691      0.701813    404.429   -70.2715     42.9337   -70.2715     148.021   109.729      
1 1 1 -69 5  5  o 4  1.81693      0.653978    109.624   176.713      94.7189   176.713      1.55826   176.713      
1 1 1 -69 5  6  o 6  0.0360615    0.65334     432.685   80.9771      253.445   -99.0229     306.254   -99.0229     
1 1 1 -69 5  7  o 1  0.389956     0.679908    136.434   168.383      ?         ?            ?         ?            
1 1 1 -69 5  8  o 15 -0.91177     0.509847    288.257   -67.4037     ?         ?            ?         ?            
1 1 1 -69 5  9  o 17 1.04473      0.671139    330.13    95.9715      ?         ?            ?         ?            
1 1 1 -69 5  10 o 15 2.59643      0.718166    405.99    -111.892     ?         ?            ?         ?            
1 1 1 -69 5  11 o 15 3.39244      0.74419     346.632   -153.09      ?         ?            ?         ?            
1 1 1 -69 5  12 o 4  6.7411       0.912183    685.38    -10.6739     ?         ?            ?         ?            
1 1 1 -69 5  13 o 7  0.946118     0.761137    205.216   -96.407      ?         ?            ?         ?            
1 1 1 -69 5  14 o 3  2.76952      0.629762    141.655   -64.449      ?         ?            ?         ?            
1 1 1 -69 7  1  o 8  1.1338       0.674426    154.653   8.40952      49.6328   -171.59      85.4      -171.59      
1 1 1 -69 7  2  o 1  2.70468      0.778188    339.682   35.9888      421.354   35.9888      77.2235   35.9888      
1 1 1 -69 7  3  o 12 1.65024      0.695005    163.098   29.6115      191.854   29.6115      31.7443   29.6115      
1 1 1 -69 7  4  o 11 2.4812       0.737983    271.922   -77.7307     403.887   -77.7307     94.9024   -77.7307     
1 1 1 -69 7  5  o 6  0.92512      0.619445    205.372   131.86       ?         ?            ?         ?            
1 1 1 -69 7  6  o 11 1.44438      0.657785    247.001   73.8619      ?         ?            ?         ?            
1 1 1 -69 7  7  o 5  2.55319      0.829862    273.813   128.894      ?         ?            ?         ?            
1 1 1 -69 7  8  o 4  -0.268772    0.739509    331.589   -0.991821    ?         ?            ?         ?            
1 1 1 -69 7  9  o 6  -1.49437     0.916705    96.1437   38.8435      ?         ?            ?         ?            
1 1 1 -69 7  10 o 15 1.66481      1.1344      215.188   124.607      ?         ?            ?         ?            
1 1 1 -69 7  11 o 1  1.75966      0.771777    343.483   129.807      ?         ?            ?         ?            
1 1 1 -69 9  3  o 7  1.84684      0.707684    164.215   -29.6815     ?         ?            ?         ?            
1 1 1 -69 9  4  o 9  1.13655      0.67089     167.435   -6.8662      ?         ?            ?         ?            
1 1 1 -68 0  1  o 16 16.8277      1.778       689.662   0            1603.43   0            487.084   0            
1 1 1 -68 0  2  o 6  19.083       1.78938     778.186   0            1662.35   0            475.259   0            
1 1 1 -68 0  3  o 18 1.59073      0.943437    287.412   180          154.838   4.90967e-15  209.009   1.81859e-15  
1 1 1 -68 0  4  o 15 7.20327      1.23604     515.472   180          831.139   180          179.53    180          
1 1 1 -68 0  5  o 7  10.4147      1.30666     622.99    0            1130.64   0            280.244   0            
1 1 1 -68 0  6  o 19 15.5578      1.46626     615.54    0            1581.16   0            509.444   0            
1 1 1 -68 0  7  o 1  25.2346      1.68816     767.62    180          2063.18   180          682.395   180          
1 1 1 -68 0  8  o 4  8.9358       1.63484     681.568   0            999.1     0            191.828   0            
1 1 1 -68 0  9  o 3  13.3594      1.65418     557.22    0            1497.48   0            500.387   0            
1 1 1 -68 0  10 o 9  2.81462      1.13021     377.807   0            ?         ?            ?         ?            
1 1 1 -68 0  11 o 19 0.137454     0.965433    453.513   0            ?         ?            ?         ?            
1 1 1 -68 0  12 o 9  2.13777      1.01031     212.19    180          ?         ?            ?         ?            
1 1 1 -68 0  13 o 11 8.85048      1.50027     876.62    180          ?         ?            ?         ?            
1 1 1 -68 0  14 o 11 1.93281      0.880898    240.309   180          ?         ?            ?         ?            
1 1 1 -68 0  15 o 14 -0.458157    0.721566    472.335   0            ?         ?            ?         ?            
1 1 1 -68 0  16 o 2  1.70298      0.909882    83.1677   180          ?         ?            ?         ?            
1 1 1 -68 2  1  o 10 17.0478      1.2194      663.899   -23.1885     1542.07   -23.1885     470.066   -23.1885     
1 1 1 -68 2  2  o 1  6.74401      0.938329    245.992   136.156      760.927   136.156      268.51    136.156      
1 1 1 -68 2  3  o 3  8.28117      0.861242    605.836   167.181      786.55    167.181      117.061   167.181      
1 1 1 -68 2  4  o 6  5.36577      0.879803    742.338   170.995      21.3857   -9.00511     349.227   -9.00511     
1 1 1 -68 2  5  o 18 9.74755      0.994941    491.082   -66.6149     1062.02   -66.6149     307.326   -66.6149     
1 1 1 -68 2  6  o 4  11.5945      1.02527     523.209   -18.054      1205.68   -18.054      365.243   -18.054      
1 1 1 -68 2  7  o 15 2.26486      0.71212     386.896   178.075      202.98    178.075      73.1874   -1.92517     
1 1 1 -68 2  8  o 3  3.20406      0.728733    456.032   -168.942     324.239   -168.942     41.7348   11.0582      
1 1 1 -68 2  9  o 18 12.8309      1.01603     833.733   4.07321      1155.46   4.07321      210.802   4.07321      
1 1 1 -68 2  10 o 17 1.72513      0.610056    196.2     18.6004      ?         ?            ?         ?            
1 1 1 -68 2  11 o 7  2.28122      0.624601    236.283   68.2297      ?         ?            ?         ?            
1 1 1 -68 2  12 o 12 2.85329      0.746371    159.699   148.084      ?         ?            ?         ?            
1 1 1 -68 2  13 o 10 -0.252429    0.521201    158.166   -68.1424     ?         ?            ?         ?            
1 1 1 -68 2  14 o 5  2.14769      0.620754    537.064   -85.6702     ?         ?            ?         ?            
1 1 1 -68 2  15 o 11 1.46804      0.545111    140.252   -152.106     ?         ?            ?         ?            
1 1 1 -68 2  16 o 3  0.92157      0.540451    265.997   -54.4462     ?         ?            ?         ?            
1 1 1 -68 4  1  o 4  7.56783      0.936822    272.732   -176.094     967.049   -176.094     363.89    -176.094     
1 1 1 -68 4  2  o 13 4.64422      0.814697    281.99    -153.139     490.42    -153.139     120.561   -153.139     
1 1 1 -68 4  3  o 13 4.64853      0.811281    528.329   110.11       551.64    110.11       41.3668   110.11       
1 1 1 -68 4  4  o 8  2.07319      0.687939    384.806   86.6171      73.1799   86.6171      134.273   -93.3829     
1 1 1 -68 4  5  o 16 14.5684      1.17744     1130.78   -52.3351     973.306   -52.3351     14.0958   127.665      
1 1 1 -68 4  6  o 14 4.28413      0.926264    290.71    111.456      565.402   111.456      154.767   111.456      
1 1 1 -68 4  7  o 12 2.62181      0.81732     354.603   159.132      293.287   159.132      7.79492   -20.8684     
1 1 1 -68 4  8  o 4  2.85747      0.755127    353.517   113.517      307.336   113.517      2.00476   113.517      
1 1 1 -68 4  9  o 16 3.52428      0.770013    169.4     -162.3       ?         ?            ?         ?            
1 1 1 -68 4  10 o 3  2.4885       0.706589    283.178   -73.5509     ?         ?            ?         ?            
1 1 1 -68 4  11 o 11 10.0814      0.97973     544.407   97.3636      ?         ?            ?         ?            
1 1 1 -68 4  12 o 19 2.42135      0.713911    258.676   -173.023     ?         ?            ?         ?            
1 1 1 -68 4  13 o 17 3.28136      0.640612    225.914   -6.23194     ?         ?            ?         ?            
1 1 1 -68 4  14 o 15 1.85376      0.578742    205.329   -41.7091     ?         ?            ?         ?            
1 1 1 -68 4  15 o 1  3.65349      0.764191    422.814   -51.6087     ?         ?            ?         ?            
1 1 1 -68 6  1  o 11 9.18231      0.97495     468.13    -102.194     1084.04   -102.194     351.309   -102.194     
1 1 1 -68 6  2  o 14 4.16271      0.796232    372.478   175.61       585.925   175.61       140.077   175.61       
1 1 1 -68 6  3  o 17 3.26778      0.76095     448.599   52.0369      440.999   52.0369      35.5771   52.0369      
1 1 1 -68 6  4  o 6  0.373075     0.620631    380.121   99.4117      124.347   -80.5883     218.972   -80.5883     
1 1 1 -68 6  5  o 2  6.06559      0.833566    207.097   -65.1747     815.373   -65.1747     322.517   -65.1747     
1 1 1 -68 6  6  o 15 0.373366     0.752069    203.34    -107.713     39.2763   72.2867      102.728   72.2867      
1 1 1 -68 6  7  o 17 1.99833      0.802154    353.293   81.6483      ?         ?            ?         ?            
1 1 1 -68 6  8  f 0  2.02143      0.697474    437.883   135.323      ?         ?            ?         ?            
1 1 1 -68 6  9  o 18 0.635126     0.633594    131.613   -117.582     ?         ?            ?         ?            
1 1 1 -68 6  10 o 6  1.99536      0.638132    276.872   -66.1293     ?         ?            ?         ?            
1 1 1 -68 6  11 o 14 1.08426      0.632136    95.0621   -130.268     ?         ?            ?         ?            
1 1 1 -68 6  12 o 8  -0.71305     0.692513    126.629   37.5274      ?         ?            ?         ?            
1 1 1 -68 6  13 o 6  1.75523      0.790402    99.9835   3.766        ?         ?            ?         ?            
1 1 1 -68 8  1  o 4  1.16044      0.722916    209.918   178.077      139.907   178.077      11.2628   -1.92301     
1 1 1 -68 8  2  o 1  0.445105     0.65985     239.682   158.846      4.44584   -21.1543     95.3444   -21.1543     
1 1 1 -68 8  3  o 5  2.16696      0.745356    406.62    88.3834      291.739   88.3834      12.4257   -91.6166     
1 1 1 -68 8  4  o 4  0.817867     0.796812    314.414   84.1607      ?         ?            ?         ?            
1 1 1 -68 8  5  o 6  4.92997      0.856147    373.95    -174.494     ?         ?            ?         ?            
1 1 1 -68 8  6  f 0  2.48599      0.852061    279.441   -79.6804     ?         ?            ?         ?            
1 1 1 -68 8  7  o 9  1.65735      0.865808    181.923   -33.0322     ?         ?            ?         ?            
1 1 1 -68 8  8  o 13 1.7332       1.01775     436.939   160.95       ?         ?            ?         ?            
1 1 1 -68 8  9  o 14 1.31394      0.879571    104.277   -126.135     ?         ?            ?         ?            
1 1 1 -68 8  10 o 2  -0.435103    0.615419    456.277   -90.9213     ?         ?            ?         ?            
1 1 1 -67 1  1  o 4  2.14673      0.674612    602.64    123.74       544.559   -56.2596     548.579   -56.2596     
1 1 1 -67 1  2  o 6  1.00515      0.642105    343.163   -16.859      204.434   163.141      259.662   163.141      
1 1 1 -67 1  3  o 12 30.2408      1.5098      717.458   114.987      2218.61   114.987      780.089   114.987      
1 1 1 -67 1  4  o 5  11.9201      0.96455     1088.12   126.413      751.781   126.413      123.414   -53.5871     
1 1 1 -67 1  5  o 5  10.4196      1.03296     790.196   130.439      867.219   130.439      71.0411   130.439      
1 1 1 -67 1  6  o 3  2.52312      0.815632    809.36    21.9947      90.5032   -158.005     416.43    -158.005     
1 1 1 -67 1  7  o 13 2.98455      0.728142    369.314   179.381      250.608   179.381      43.7768   -0.618923    
1 1 1 -67 1  8  o 15 0.467848     0.632928    462.853   154.013      290.157   -25.9875     356.073   -25.9875     
1 1 1 -67 1  9  o 1  12.5707      1.02007     778.426   160.091      1115.88   160.091      206.254   160.091      
1 1 1 -67 1  10 o 3  2.05074      0.732443    151.788   11.7154      ?         ?            ?         ?            
1 1 1 -67 1  11 o 19 5.67628      0.787723    231.776   -16.2157     ?         ?            ?         ?            
1 1 1 -67 1  12 o 1  0.393264     0.542057    414.157   30.3262      ?         ?            ?         ?            
1 1 1 -67 1  13 o 12 1.93981      0.600889    301.568   14.5359      ?         ?            ?         ?            
1 1 1 -67 1  14 o 9  0.380456     0.567777    174.653   177.707      ?         ?            ?         ?            
1 1 1 -67 1  15 o 7  0.588779     0.51083     176.677   153.837      ?         ?            ?         ?            
1 1 1 -67 1  16 o 5  0.985921     0.558139    267.485   -117.704     ?         ?            ?         ?            
1 1 1 -67 1  17 o 4  2.70347      0.55256     384.683   -49.2102     ?         ?            ?         ?            
1 1 1 -67 3  1  o 18 1.11789      0.713025    167.413   85.702       52.6448   -94.298      102.456   -94.298      
1 1 1 -67 3  2  o 3  3.24682      0.778697    80.9783   76.142       89.992    76.142       8.05155   76.142       
1 1 1 -67 3  3  o 15 3.05463      0.714096    820.052   -86.2284     70.4794   -86.2284     339.412   93.7716      
1 1 1 -67 3  4  o 7  -0.0165543   0.649559    76.8484   -52.4198     ?         ?            ?         ?            
1 1 1 -67 3  5  o 12 1.87948      0.800777    230.727   115.569      56.4083   115.569      77.1114   -64.4311     
1 1 1 -67 3  6  o 16 2.54965      0.824558    303.249   -46.9492     221.474   -46.9492     27.3127   133.051      
1 1 1 -67 3  7  o 1  2.15         0.757701    456.062   126.208      130.096   126.208      141.485   -53.7918     
1 1 1 -67 3  8  o 7  2.06562      0.74277     400.757   92.0322      156.735   92.0322      101.453   -87.9678     
1 1 1 -67 3  9  o 10 2.41802      0.732807    645.61    -109.193     103.046   -109.193     233.883   70.8069      
1 1 1 -67 3  10 o 12 10.6286      0.973435    828.657   143.711      ?         ?            ?         ?            
1 1 1 -67 3  11 o 19 5.3757       0.829042    344.597   -69.9521     ?         ?            ?         ?            
1 1 1 -67 3  12 o 3  1.97499      0.620208    347.964   -111.92      ?         ?            ?         ?            
1 1 1 -67 3  13 o 16 4.76673      0.666717    714.762   136.385      ?         ?            ?         ?            
1 1 1 -67 3  14 o 2  2.15204      0.735346    204.499   79.5901      ?         ?            ?         ?            
1 1 1 -67 3  15 o 9  1.42202      0.554437    479.16    -122.156     ?         ?            ?         ?            
1 1 1 -67 3  16 o 12 1.71848      0.545313    60.1747   -129.303     ?         ?            ?         ?            
1 1 1 -67 5  1  o 13 1.07006      0.694281    409.665   -6.98071     246.217   173.019      301.401   173.019      
1 1 1 -67 5  2  o 11 9.0849       0.934576    482.703   -76.9219     1018.24   -76.9219     297.365   -76.9219     
1 1 1 -67 5  3  o 19 1.23493      0.665823    218.543   -65.2039     21.7333   -65.2039     85.3929   114.796      
1 1 1 -67 5  4  f 0  3.05307      0.915595    292.639   -97.7285     133.355   -97.7285     62.2753   82.2715      
1 1 1 -67 5  5  o 1  5.87403      0.985185    403.706   88.2215      765.748   88.2215      205.53    88.2215      
1 1 1 -67 5  6  o 12 2.80859      0.776335    313       -174.566     348.09    -174.566     37.4948   -174.566     
1 1 1 -67 5  7  o 6  0.549285     0.653705    500.904   22.4843      274.147   -157.516     353.171   -157.516     
1 1 1 -67 5  8  o 5  2.70407      0.706723    318.819   -10.0836     ?         ?            ?         ?            
1 1 1 -67 5  9  o 15 5.9476       0.776585    207.319   2.17882      ?         ?            ?         ?            
1 1 1 -67 5  10 o 3  0.877163     0.638087    324.793   47.5552      ?         ?            ?         ?            
1 1 1 -67 5  11 o 14 2.98897      0.629533    453.147   -77.4164     ?         ?            ?         ?            
1 1 1 -67 5  12 o 10 2.35916      0.600212    723.881   129.187      ?         ?            ?         ?            
1 1 1 -67 5  13 o 10 2.42043      0.631939    210.407   173.557      ?         ?            ?         ?            
1 1 1 -67 5  14 o 2  2.56981      0.784681    308.327   139.183      ?         ?            ?         ?            
1 1 1 -67 5  15 o 5  0.184455     0.675671    277.755   111.86       ?         ?            ?         ?            
1 1 1 -67 7  1  f 0  2.06583      0.700384    488.157   69.9523      39.334    69.9523      175.825   -110.048     
1 1 1 -67 7  2  o 6  4.33973      0.904619    443.626   -105.887     608.723   -105.887     125.715   -105.887     
1 1 1 -67 7  3  o 18 -0.226227    0.632946    317.612   171.485      161.898   -8.51548     209.262   -8.51548     
1 1 1 -67 7  4  o 18 6.46012      0.873663    314.765   116.274      931.733   116.274      338.657   116.274      
1 1 1 -67 7  5  o 7  5.57751      0.921501    475.664   59.8317      771.934   59.8317      194.216   59.8317      
1 1 1 -67 7  6  o 5  0.97762      0.758743    321.923   148.201      ?         ?            ?         ?            
1 1 1 -67 7  7  o 10 1.02099      0.617911    162.843   -179.528     ?         ?            ?         ?            
1 1 1 -67 7  8  o 9  1.82003      0.627531    243.959   -59.2227     ?         ?            ?         ?            
1 1 1 -67 7  9  o 9  1.58793      0.573455    337.688   -54.2886     ?         ?            ?         ?            
1 1 1 -67 7  10 o 11 1.83707      0.575889    491.755   123.208      ?         ?            ?         ?            
1 1 1 -67 7  11 o 15 0.192744     0.684434    223.855   -82.2999     ?         ?            ?         ?            
1 1 1 -67 7  12 o 1  3.55598      0.969203    304.085   104.277      ?         ?            ?         ?            
1 1 1 -67 7  13 o 18 2.10868      0.681658    255.877   96.6384      ?         ?            ?         ?            
1 1 1 -67 9  1  o 16 3.95527      0.850728    513.45    12.582       569.67    12.582       91.2122   12.582       
1 1 1 -67 9  2  o 3  0.492546     0.756275    160.102   75.3784      ?         ?            ?         ?            
1 1 1 -67 9  3  f 0  3.27169      0.843914    404.028   179.521      ?         ?            ?         ?            
1 1 1 -67 9  4  o 6  4.99196      0.848714    470.446   169.6        ?         ?            ?         ?            
1 1 1 -67 9  5  o 15 -0.144363    0.707843    339.049   153.815      ?         ?            ?         ?            
1 1 1 -67 9  6  o 6  1.70402      0.853383    178.392   -58.0301     ?         ?            ?         ?            
1 1 1 -67 9  7  o 19 -0.518293    0.644167    188.625   -58.5069     ?         ?            ?         ?            
1 1 1 -67 9  8  o 8  1.18068      0.741563    268.974   2.34309      ?         ?            ?         ?            
1 1 1 -66 0  1  o 8  1.12751      0.953332    26.6176   180          13.9059   5.30058e-15  19.1583   1.92369e-15  
1 1 1 -66 0  2  o 3  14.705       1.45098     1162.85   180          1053.86   180          5.78375   1.28553e-12  
1 1 1 -66 0  3  o 4  10.3403      1.32998     796.197   0            1006.97   0            138.962   0            
1 1 1 -66 0  4  o 16 1.65956      1.09692     491.726   0            ?         ?            ?         ?            
1 1 1 -66 0  5  o 2  9.30687      1.46815     800.775   0            773.511   0            19.9559   0            
1 1 1 -66 0  6  o 5  9.0488       1.59144     705.615   180          892.691   180          122.836   180          
1 1 1 -66 0  7  o 7  55.7729      3.48901     1837.49   0            2423.44   0            368.605   0            
1 1 1 -66 0  8  o 2  10.6176      2.12946     918.02    180          913.073   180          35.4889   180          
1 1 1 -66 0  9  f 0  1.40851      0.964705    558.678   180          161.267   1.52026e-14  335.97    3.64866e-15  
1 1 1 -66 0  10 o 10 0.383627     0.817595    251.723   0            182.935   180          205.441   180          
1 1 1 -66 0  11 o 8  -0.108123    0.701737    223.471   0            ?         ?            ?         ?            
1 1 1 -66 0  12 o 1  11.0207      1.21928     521.675   180          ?         ?            ?         ?            
1 1 1 -66 0  13 o 1  1.85076      0.856224    531.447   0            ?         ?            ?         ?            
1 1 1 -66 0  14 o 14 4.28139      0.958726    306.195   0            ?         ?            ?         ?            
1 1 1 -66 0  15 o 3  1.61666      0.930399    327.446   180          ?         ?            ?         ?            
1 1 1 -66 0  16 o 15 0.0778424    0.859593    102.397   0            ?         ?            ?         ?            
1 1 1 -66 0  17 o 13 0.282084     0.826512    49.5278   0            ?         ?            ?         ?            
1 1 1 -66 2  1  o 7  2.3276       0.702334    525.721   -159.005     351.624   20.9948      417.051   20.9948      
1 1 1 -66 2  2  o 2  1.69772      0.702208    296.152   1.43798      32.6347   -178.562     152.185   -178.562     
1 1 1 -66 2  3  o 10 15.864       1.24822     977.956   6.24925      1183.16   6.24925      143.04    6.24925      
1 1 1 -66 2  4  o 15 4.62385      0.919733    678.532   -21.2073     284.372   -21.2073     169.016   158.793      
1 1 1 -66 2  5  o 19 6.21264      0.95587     403.716   -72.7736     561.958   -72.7736     95.7714   -72.7736     
1 1 1 -66 2  6  o 5  9.22264      0.970322    797.333   177.915      798.762   177.915      33.5079   177.915      
1 1 1 -66 2  7  o 12 10.8199      0.977007    689.987   26.7316      980.366   26.7316      173.711   26.7316      
1 1 1 -66 2  8  o 17 3.5902       0.711602    476.03    -10.9884     370.441   -10.9884     32.5836   169.012      
1 1 1 -66 2  9  o 8  14.2604      1.10946     522.367   -176.156     1413.11   -176.156     469.096   -176.156     
1 1 1 -66 2  10 o 13 4.63794      0.832598    478.399   -103.086     469.537   -103.086     20.1372   -103.086     
1 1 1 -66 2  11 o 10 0.759322     0.588129    241.037   59.6641      ?         ?            ?         ?            
1 1 1 -66 2  12 o 9  2.03285      0.788783    387.863   128.169      ?         ?            ?         ?            
1 1 1 -66 2  13 o 14 0.983763     0.553645    109.244   -157.275     ?         ?            ?         ?            
1 1 1 -66 2  14 o 14 0.444759     0.534452    504.653   -46.5766     ?         ?            ?         ?            
1 1 1 -66 2  15 o 6  3.84665      0.630555    595.317   47.5768      ?         ?            ?         ?            
1 1 1 -66 2  16 o 10 0.186349     0.480293    214.225   -99.0994     ?         ?            ?         ?            
1 1 1 -66 2  17 o 2  6.14399      0.722735    327.384   102.012      ?         ?            ?         ?            
1 1 1 -66 4  1  o 7  4.4812       0.7409      477.197   81.1395      467.051   81.1395      16.6184   81.1395      
1 1 1 -66 4  2  f 0  5.66126      0.801793    383.791   138.666      580.362   138.666      115.166   138.666      
1 1 1 -66 4  3  o 14 10.6354      1.21052     365.192   -17.2511     1166.98   -17.2511     416.726   -17.2511     
1 1 1 -66 4  4  o 4  6.512        0.961706    303.181   152.5        747.024   152.5        235.052   152.5        
1 1 1 -66 4  5  o 16 5.13977      0.818289    707.34    -175.095     456.794   -175.095     94.2566   4.90468      
1 1 1 -66 4  6  o 17 4.058        0.813457    492.708   91.6948      440.041   91.6948      4.07436   -88.3052     
1 1 1 -66 4  7  o 3  3.19707      0.685378    405.053   -53.2532     309.411   -53.2532     28.4899   126.747      
1 1 1 -66 4  8  o 8  5.15301      0.796796    499.1     -56.5214     626.26    -56.5214     89.593    -56.5214     
1 1 1 -66 4  9  o 2  18.4564      1.36606     899.573   92.9574      1491.61   92.9574      349.11    92.9574      
1 1 1 -66 4  10 o 1  6.44893      0.77308     358.78    -64.869      ?         ?            ?         ?            
1 1 1 -66 4  11 o 16 3.38673      0.690122    216.959   117.818      ?         ?            ?         ?            
1 1 1 -66 4  12 o 3  1.44729      0.542326    425.664   7.16521      ?         ?            ?         ?            
1 1 1 -66 4  13 o 4  2.56409      0.642697    179.194   -23.6154     ?         ?            ?         ?            
1 1 1 -66 4  14 o 4  0.54849      0.631089    235.409   -9.8778      ?         ?            ?         ?            
1 1 1 -66 4  15 f 0  2.40186      0.670426    341.775   29.6552      ?         ?            ?         ?            
1 1 1 -66 4  16 o 2  1.32808      0.760738    158.037   116.066      ?         ?            ?         ?            
1 1 1 -66 6  1  o 18 1.76284      0.726291    170.018   -66.7418     37.3865   113.258      91.4919   113.258      
1 1 1 -66 6  2  o 7  2.5578       0.727946    508.285   88.5392      96.1821   -91.4608     267.548   -91.4608     
1 1 1 -66 6  3  o 16 2.42361      0.765026    602.735   -108.6       98.3673   -108.6       212.154   71.4003      
1 1 1 -66 6  4  o 5  3.31666      0.908826    321.26    -30.6407     230.304   -30.6407     24.1816   149.359      
1 1 1 -66 6  5  o 1  0.265679     0.742213    436.149   168.121      ?         ?            ?         ?            
1 1 1 -66 6  6  o 9  2.47883      0.720962    353.233   10.9187      308.022   10.9187      2.54246   10.9187      
1 1 1 -66 6  7  o 1  2.09927      0.66415     408.205   -61.084      219.706   -61.084      63.1137   118.916      
1 1 1 -66 6  8  o 1  1.16065      0.596877    479.86    23.808       ?         ?            ?         ?            
1 1 1 -66 6  9  o 19 0.0944016    0.544607    173.293   130.19       ?         ?            ?         ?            
1 1 1 -66 6  10 o 17 3.15437      0.629844    120.243   23.8784      ?         ?            ?         ?            
1 1 1 -66 6  11 o 14 0.781263     0.609415    324.705   112.719      ?         ?            ?         ?            
1 1 1 -66 6  12 o 9  1.66444      0.568645    219.527   -52.5884     ?         ?            ?         ?            
1 1 1 -66 6  13 o 6  0.672799     0.645531    155.963   72.0413      ?         ?            ?         ?            
1 1 1 -66 6  14 o 11 -0.269848    0.584886    286.951   -115.24      ?         ?            ?         ?            
1 1 1 -66 8  1  o 14 2.51458      0.701055    239.787   -121.784     398.625   -121.784     104.727   -121.784     
1 1 1 -66 8  2  o 19 6.2647       0.840327    376.781   19.6304      914.078   19.6304      307.936   19.6304      
1 1 1 -66 8  3  o 12 3.7972       0.707965    503.209   -94.6468     535.263   -94.6468     68.1316   -94.6468     
1 1 1 -66 8  4  o 2  0.519105     0.683259    385.943   -109.605     78.3925   70.3952      192.225   70.3952      
1 1 1 -66 8  5  o 18 1.7588       0.781601    294.915   81.0723      ?         ?            ?         ?            
1 1 1 -66 8  6  o 11 1.16109      0.652765    178.767   13.8315      ?         ?            ?         ?            
1 1 1 -66 8  7  o 19 0.346478     0.557772    88.5846   -33.0495     ?         ?            ?         ?            
1 1 1 -66 8  8  o 18 1.16582      0.593314    15.4406   9.18187      ?         ?            ?         ?            
1 1 1 -66 8  9  o 18 1.23161      0.64133     274.363   150.318      ?         ?            ?         ?            
1 1 1 -66 8  10 o 5  -0.617081    0.833       92.5239   28.5568      ?         ?            ?         ?            
1 1 1 -66 8  11 o 2  1.51454      0.832492    324.504   75.8603      ?         ?            ?         ?            
1 1 1 -66 8  12 o 14 4.30671      0.780122    96.6806   -159.052     ?         ?            ?         ?            
1 1 1 -66 10 2  o 15 0.929752     0.783662    243.985   32.2267      ?         ?            ?         ?            
1 1 1 -66 10 3  o 3  0.800185     0.636298    120.062   -88.4121     ?         ?            ?         ?            
1 1 1 -66 10 4  o 5  2.34728      0.666802    259.773   -153.557     ?         ?            ?         ?            
1 1 1 -66 10 5  o 10 1.12967      0.642058    331.553   -65.2947     ?         ?            ?         ?            
1 1 1 -65 1  1  o 8  4.98297      0.768933    266.096   -146.891     430.289   -146.891     93.4959   -146.891     
1 1 1 -65 1  2  o 5  10.5153      1.08725     565.712   -159.527     1027.63   -159.527     255.581   -159.527     
1 1 1 -65 1  3  o 18 8.10524      1.07438     1208.86   -145.32      275.909   -145.32      413.414   34.6796      
1 1 1 -65 1  4  o 1  2.72569      0.990334    183.636   63.859       59.2022   -116.141     113.358   -116.141     
1 1 1 -65 1  5  o 15 0.635607     0.686037    345.745   -139.418     ?         ?            ?         ?            
1 1 1 -65 1  6  o 13 24.7901      1.54485     1371.27   -24.872      1394.9    -24.872      70.6002   -24.872      
1 1 1 -65 1  7  o 5  11.5557      1.2323      715.641   179.102      1028.33   179.102      186.391   179.102      
1 1 1 -65 1  8  o 17 5.85983      0.949346    703.289   21.6099      473.267   21.6099      86.0042   -158.39      
1 1 1 -65 1  9  o 5  3.97823      0.82944     397.745   -24.1163     430.998   -24.1163     33.0747   -24.1163     
1 1 1 -65 1  10 f 0  5.02448      1.12969     339.433   -127.836     442.406   -127.836     66.2638   -127.836     
1 1 1 -65 1  11 o 13 4.05408      0.783124    407.606   148.779      ?         ?            ?         ?            
1 1 1 -65 1  12 o 6  3.93699      0.680903    271.344   62.2118      ?         ?            ?         ?            
1 1 1 -65 1  13 o 7  2.64566      0.663931    562.011   -94.7414     ?         ?            ?         ?            
1 1 1 -65 1  14 o 13 5.50024      0.728125    449.901   144.04       ?         ?            ?         ?            
1 1 1 -65 1  15 o 1  0.00926848   0.557483    245.333   -20.746      ?         ?            ?         ?            
1 1 1 -65 1  16 o 5  1.00932      0.612247    155.821   -116.985     ?         ?            ?         ?            
1 1 1 -65 1  17 o 4  1.54159      0.576115    237.787   124.759      ?         ?            ?         ?            
1 1 1 -65 3  1  o 9  9.82924      0.939988    709.165   -97.327      925.796   -97.327      137.517   -97.327      
1 1 1 -65 3  2  o 16 9.8628       1.08223     467.818   -84.4208     999.768   -84.4208     285.348   -84.4208     
1 1 1 -65 3  3  o 11 24.1925      1.52282     1111.19   147.802      1582.08   147.802      281.66    147.802      
1 1 1 -65 3  4  o 5  25.6815      1.42805     940.626   103.976      1816.72   103.976      477.176   103.976      
1 1 1 -65 3  5  f 0  5.9258       0.806106    302.098   3.09828      573.867   3.09828      148.397   3.09828      
1 1 1 -65 3  6  o 3  12.2158      0.938162    514.398   26.9222      1244.94   26.9222      386.453   26.9222      
1 1 1 -65 3  7  o 7  1.89561      0.598366    381.582   -54.8118     74.8619   -54.8118     137.642   125.188      
1 1 1 -65 3  8  o 12 17.1236      1.17432     694.677   125.962      1511.86   125.962      437.783   125.962      
1 1 1 -65 3  9  o 8  7.48754      0.760954    440.767   -9.02397     887.828   -9.02397     243.189   -9.02397     
1 1 1 -65 3  10 o 4  0.744256     0.547051    172.918   -4.37601     72.2968   175.624      113.939   175.624      
1 1 1 -65 3  11 o 17 4.40462      0.720606    388.886   -160.556     ?         ?            ?         ?            
1 1 1 -65 3  12 o 1  8.54011      0.817264    335.969   117.924      ?         ?            ?         ?            
1 1 1 -65 3  13 f 0  6.14197      0.793184    383.102   -147.521     ?         ?            ?         ?            
1 1 1 -65 3  14 o 9  2.10158      0.856722    120.859   49.3449      ?         ?            ?         ?            
1 1 1 -65 3  15 o 15 1.95903      0.629687    223.261   167.713      ?         ?            ?         ?            
1 1 1 -65 3  16 o 16 1.55528      0.554794    672.367   63.2032      ?         ?            ?         ?            
1 1 1 -65 3  17 o 7  0.0418382    0.486967    386.594   1.2949       ?         ?            ?         ?            
1 1 1 -65 5  1  o 11 11.768       0.999054    607.857   176.987      1130.94   176.987      290.394   176.987      
1 1 1 -65 5  2  o 3  6.99573      0.982845    486.576   -86.186      729.379   -86.186      143.628   -86.186      
1 1 1 -65 5  3  o 18 2.68747      0.855586    189.637   59.1787      189.977   59.1787      8.68353   59.1787      
1 1 1 -65 5  4  o 19 0.965958     0.705371    633.793   104.817      289.548   -75.1832     433.225   -75.1832     
1 1 1 -65 5  5  o 8  2.72477      0.681653    473.383   -22.5934     299.961   157.407      365.069   157.407      
1 1 1 -65 5  6  o 18 10.8837      0.953756    990.519   -109.01      788.471   -109.01      54.0957   70.99        
1 1 1 -65 5  7  o 6  4.23764      0.724327    445.59    159.048      524.261   159.048      61.8556   159.048      
1 1 1 -65 5  8  o 8  3.06814      0.693152    382.234   171.647      357.009   171.647      8.67715   171.647      
1 1 1 -65 5  9  o 8  24.7329      1.25285     1102.21   -111.681     1725.88   -111.681     381.672   -111.681     
1 1 1 -65 5  10 o 3  3.03887      0.728589    316.324   168.724      ?         ?            ?         ?            
1 1 1 -65 5  11 o 4  1.32094      0.568454    252.114   48.094       ?         ?            ?         ?            
1 1 1 -65 5  12 o 9  0.432867     0.49931     403.413   -117.964     ?         ?            ?         ?            
1 1 1 -65 5  13 o 18 -0.0372768   0.504628    188.63    4.18495      ?         ?            ?         ?            
1 1 1 -65 5  14 o 19 0.270431     0.491644    170.549   3.25682      ?         ?            ?         ?            
1 1 1 -65 5  15 o 5  1.84541      0.668042    198.255   49.8725      ?         ?            ?         ?            
1 1 1 -65 5  16 o 6  1.24172      0.752426    214.497   127.205      ?         ?            ?         ?            
1 1 1 -65 7  1  o 11 3.33562      0.7601      283.196   -83.4975     468.31    -83.4975     115.868   -83.4975     
1 1 1 -65 7  2  o 16 2.61001      0.750405    328.066   -88.8697     246.289   -88.8697     14.9986   91.1303      
1 1 1 -65 7  3  f 0  2.20371      0.789941    476.292   17.0752      112.466   17.0752      145.157   -162.925     
1 1 1 -65 7  4  o 14 2.6374       0.891261    177.943   -84.8414     234.867   -84.8414     42.1885   -84.8414     
1 1 1 -65 7  5  o 6  4.19696      0.743558    398.559   -110.925     587.976   -110.925     126.125   -110.925     
1 1 1 -65 7  6  o 17 1.94651      0.621408    383.707   -111.947     220.321   -111.947     50.1654   68.0533      
1 1 1 -65 7  7  o 13 0.0174599    0.563705    517.876   23.5462      265.917   -156.454     346.863   -156.454     
1 1 1 -65 7  8  o 14 0.658868     0.565658    628.253   -164.696     ?         ?            ?         ?            
1 1 1 -65 7  9  o 7  4.77876      0.695379    348.648   6.28196      ?         ?            ?         ?            
1 1 1 -65 7  10 o 10 1.98618      0.59266     347.439   -106.915     ?         ?            ?         ?            
1 1 1 -65 7  11 o 3  0.701294     0.549148    166.349   6.81901      ?         ?            ?         ?            
1 1 1 -65 7  12 o 19 1.45737      0.811851    376.357   -107.544     ?         ?            ?         ?            
1 1 1 -65 7  13 o 14 2.12847      0.715063    316.425   -93.4079     ?         ?            ?         ?            
1 1 1 -65 7  14 o 10 0.407476     0.598068    235.86    113.838      ?         ?            ?         ?            
1 1 1 -65 9  1  o 8  0.214807     0.613518    163.512   98.5807      33.3868   -81.4193     80.3063   -81.4193     
1 1 1 -65 9  2  o 12 4.86003      0.806803    510.76    -141.081     696.153   -141.081     148.747   -141.081     
1 1 1 -65 9  3  o 19 0.910103     0.712853    231.66    45.9385      82.3512   45.9385      49.3631   -134.062     
1 1 1 -65 9  4  o 4  4.50076      0.815421    454.786   -3.77673     ?         ?            ?         ?            
1 1 1 -65 9  5  o 7  1.42194      0.624723    344.899   -84.348      ?         ?            ?         ?            
1 1 1 -65 9  6  o 1  1.12446      0.743586    111.552   -34.894      ?         ?            ?         ?            
1 1 1 -65 9  7  o 6  -0.213488    0.611053    251.447   103.018      ?         ?            ?         ?            
1 1 1 -65 9  8  o 7  1.73266      0.665238    371.94    -137.352     ?         ?            ?         ?            
1 1 1 -65 9  9  o 16 0.31087      0.82144     97.449    -144.269     ?         ?            ?         ?            
1 1 1 -65 9  10 o 19 0.502975     0.742042    343.214   -66.6218     ?         ?            ?         ?            
1 1 1 -64 0  1  o 11 0.205776     2.22561     659.673   180          ?         ?            ?         ?            
1 1 1 -64 0  2  o 2  20.7812      2.83182     1151.27   0            1362.91   0            158.905   0            
1 1 1 -64 0  3  o 3  22.6696      2.946       1165.34   0            1545.9    0            244.391   0            
1 1 1 -64 0  4  o 11 1.97712      1.24643     409.281   180          ?         ?            ?         ?            
1 1 1 -64 0  5  o 1  15.7438      1.97018     543.274   180          1619.63   180          563.21    180          
1 1 1 -64 0  6  o 11 9.02047      1.50638     718.593   180          945.747   180          146.165   180          
1 1 1 -64 0  7  o 15 5.02184      1.25394     434.668   0            255.617   0            70.3001   180          
1 1 1 -64 0  8  o 13 7.60494      1.40969     804.461   0            747.648   0            6.0331    0            
1 1 1 -64 0  9  f 0  4.00794      1.31053     783.721   0            180.997   0            268.84    180          
1 1 1 -64 0  10 o 7  -1.56913     0.62721     328.422   180          ?         ?            ?         ?            
1 1 1 -64 0  11 o 4  1.62337      0.849153    81.9532   180          4.70931   180          35.0369   7.95983e-15  
1 1 1 -64 0  12 o 1  5.6962       0.92168     515.741   0            ?         ?            ?         ?            
1 1 1 -64 0  13 o 16 7.03275      1.0153      449.757   180          ?         ?            ?         ?            
1 1 1 -64 0  14 o 14 0.564456     0.7032      336.208   180          ?         ?            ?         ?            
1 1 1 -64 0  15 o 6  2.00957      0.761293    295.649   0            ?         ?            ?         ?            
1 1 1 -64 0  16 o 17 1.70581      0.795939    184.543   180          ?         ?            ?         ?            
1 1 1 -64 0  17 o 10 -0.0200461   0.690711    124.496   0            ?         ?            ?         ?            
1 1 1 -64 0  18 o 15 3.18884      0.808426    201.455   180          ?         ?            ?         ?            
1 1 1 -64 2  1  o 12 19.7296      1.56651     756.617   33.7288      1550.38   33.7288      430.177   33.7288      
1 1 1 -64 2  2  o 7  9.63535      1.15609     393.991   151.764      935.353   151.764      288.305   151.764      
1 1 1 -64 2  3  o 14 1.80185      0.754251    238.331   -88.9468     57.5219   91.0532      137.181   91.0532      
1 1 1 -64 2  4  o 11 32.0814      2.23804     982.828   -127.42      2098.75   -127.42      602.262   -127.42      
1 1 1 -64 2  5  o 12 16.4184      1.16922     947.724   141.667      1191.93   141.667      164.46    141.667      
1 1 1 -64 2  6  o 13 3.26198      0.69666     332.37    68.232       204.096   68.232       49.5323   -111.768     
1 1 1 -64 2  7  o 7  4.00066      0.738652    419.644   -10.0561     359.896   -10.0561     11.8798   169.944      
1 1 1 -64 2  8  o 13 2.28373      0.664522    204.466   -153.649     126.685   26.351       157.041   26.351       
1 1 1 -64 2  9  o 18 5.67785      0.80257     807.022   49.0486      436.588   49.0486      152.026   -130.951     
1 1 1 -64 2  10 o 5  1.54131      0.568048    452.329   94.1666      38.66     -85.8334     226.413   -85.8334     
1 1 1 -64 2  11 o 5  4.23933      0.678421    397.308   -6.00653     519.885   -6.00653     79.8034   -6.00653     
1 1 1 -64 2  12 f 0  3.32855      1.04282     851.244   -61.9467     ?         ?            ?         ?            
1 1 1 -64 2  13 o 19 10.0288      1.0303      1016.44   100.422      ?         ?            ?         ?            
1 1 1 -64 2  14 o 16 0.7009       0.640353    112.344   120.99       ?         ?            ?         ?            
1 1 1 -64 2  15 o 14 0.392221     0.515736    262.481   159.275      ?         ?            ?         ?            
1 1 1 -64 2  16 o 8  0.565347     0.476725    134.914   78.6484      ?         ?            ?         ?            
1 1 1 -64 2  17 o 8  1.77977      0.562816    28.6782   -23.9724     ?         ?            ?         ?            
1 1 1 -64 2  18 o 15 0.693356     0.511355    295.169   -61.1777     ?         ?            ?         ?            
1 1 1 -64 4  1  o 7  12.8917      1.2702      596.566   -45.5592     1191.48   -45.5592     322.003   -45.5592     
1 1 1 -64 4  2  o 9  8.17522      1.00489     425.519   -10.6275     828.019   -10.6275     218.837   -10.6275     
1 1 1 -64 4  3  o 2  1.62955      0.685007    161.137   -126.182     ?         ?            ?         ?            
1 1 1 -64 4  4  f 0  23.4945      1.25304     460.565   -140.944     1959.25   -140.944     768.443   -140.944     
1 1 1 -64 4  5  o 11 3.99192      0.693416    691.872   75.6024      254.87    75.6024      189.916   -104.398     
1 1 1 -64 4  6  o 15 5.61498      0.742339    419.683   21.9361      623.944   21.9361      119.397   21.9361      
1 1 1 -64 4  7  o 9  1.00151      0.582591    420.625   -179.555     209.513   0.445453     297.706   0.445453     
1 1 1 -64 4  8  o 16 14.9545      0.992078    656.279   -84.0016     1393.51   -84.0016     396.404   -84.0016     
1 1 1 -64 4  9  o 18 4.52832      0.762163    418.218   41.1425      539.772   41.1425      79.7116   41.1425      
1 1 1 -64 4  10 o 9  2.59518      0.613777    308.788   103.082      254.023   103.082      11.5514   -76.9181     
1 1 1 -64 4  11 o 4  8.52863      0.842497    856.626   -81.8018     ?         ?            ?         ?            
1 1 1 -64 4  12 o 3  1.61339      0.561074    372.496   -77.6155     ?         ?            ?         ?            
1 1 1 -64 4  13 o 5  1.09631      0.478887    223.2     89.2312      ?         ?            ?         ?            
1 1 1 -64 4  14 o 5  0.513744     0.485731    363.926   116.511      ?         ?            ?         ?            
1 1 1 -64 4  15 o 14 3.36521      0.624665    388.345   -92.0878     ?         ?            ?         ?            
1 1 1 -64 4  16 o 1  0.646665     0.768585    118.69    -132.38      ?         ?            ?         ?            
1 1 1 -64 4  17 o 5  2.19841      0.883887    197.465   100.842      ?         ?            ?         ?            
1 1 1 -64 6  1  o 1  2.96001      0.747072    406.514   48.8167      318.783   48.8167      22.6217   -131.183     
1 1 1 -64 6  2  o 11 6.16179      0.91411     370.909   166.78       766.093   166.78       216.104   166.78       
1 1 1 -64 6  3  o 17 6.84965      0.900392    269.26    -94.4594     783.894   -94.4594     270.472   -94.4594     
1 1 1 -64 6  4  o 5  3.20138      0.683732    314.089   80.8635      360.938   80.8635      38.7815   80.8635      
1 1 1 -64 6  5  o 6  0.643555     0.599436    305.723   116.915      98.2026   -63.0849     186.666   -63.0849     
1 1 1 -64 6  6  o 14 0.595022     0.597148    353.101   99.0569      147.774   -80.9431     231.904   -80.9431     
1 1 1 -64 6  7  o 2  3.75964      0.677257    475.305   -133.732     465.632   -133.732     22.0801   -133.732     
1 1 1 -64 6  8  o 1  5.27908      0.735102    296.182   117.962      719.691   117.962      230.378   117.962      
1 1 1 -64 6  9  o 12 5.95715      0.740804    294.341   26.6174      ?         ?            ?         ?            
1 1 1 -64 6  10 o 16 0.181831     0.512194    244.624   -4.86902     ?         ?            ?         ?            
1 1 1 -64 6  11 o 19 17.5243      1.17403     896.609   -124.62      ?         ?            ?         ?            
1 1 1 -64 6  12 o 13 3.11936      0.625914    266.993   27.0189      ?         ?            ?         ?            
1 1 1 -64 6  13 o 10 1.86764      0.538572    347.563   171.853      ?         ?            ?         ?            
1 1 1 -64 6  14 o 13 4.03219      0.718955    246.431   -129.959     ?         ?            ?         ?            
1 1 1 -64 6  15 o 3  0.891617     0.615577    67.527    155.222      ?         ?            ?         ?            
1 1 1 -64 8  1  o 2  4.38984      0.771975    442.781   -65.0429     631.087   -65.0429     135.941   -65.0429     
1 1 1 -64 8  2  o 2  2.1684       0.758308    295.269   58.8461      254.501   58.8461      6.71296   58.8461      
1 1 1 -64 8  3  o 19 0.948656     0.687592    274.113   142.479      15.2149   -37.5208     119.881   -37.5208     
1 1 1 -64 8  4  o 19 0.441154     0.619527    240.311   7.19042      59.1343   -172.81      127.983   -172.81      
1 1 1 -64 8  5  o 1  0.410527     0.573578    123.929   123.403      26.6688   -56.5968     63.9074   -56.5968     
1 1 1 -64 8  6  o 6  0.880333     0.570546    312.355   106.885      7.30206   -73.1146     130.278   -73.1146     
1 1 1 -64 8  7  o 5  1.25497      0.568904    55.152    136.037      ?         ?            ?         ?            
1 1 1 -64 8  8  o 5  3.538        0.697101    686.768   12.478       ?         ?            ?         ?            
1 1 1 -64 8  9  o 19 1.64047      0.596101    523.065   -28.5358     ?         ?            ?         ?            
1 1 1 -64 8  10 o 14 2.24654      0.632889    366.668   56.4424      ?         ?            ?         ?            
1 1 1 -64 8  11 o 11 0.913078     0.592306    360.017   -153.374     ?         ?            ?         ?            
1 1 1 -64 8  12 o 5  2.00781      1.02616     283.967   -31.9026     ?         ?            ?         ?            
1 1 1 -64 8  13 o 8  1.00319      0.605068    315.184   -5.38756     ?         ?            ?         ?            
1 1 1 -64 10 1  o 12 4.27485      0.859878    131.778   -131.025     513.661   -131.025     207.038   -131.025     
1 1 1 -64 10 2  o 4  0.124288     0.646758    157.995   99.637       ?         ?            ?         ?            
1 1 1 -64 10 3  o 18 0.793732     0.78589     158.052   0.497265     ?         ?            ?         ?            
1 1 1 -64 10 4  o 1  2.87958      0.819502    498.882   72.9121      ?         ?            ?         ?            
1 1 1 -64 10 5  o 17 0.55543      0.663693    252.86    50.1131      ?         ?            ?         ?            
1 1 1 -64 10 6  f 0  3.36379      0.804497    197.389   58.8587      ?         ?            ?         ?            
1 1 1 -64 10 7  o 10 -0.42068     0.577801    240.856   41.8015      ?         ?            ?         ?            
1 1 1 -64 10 8  o 11 0.0791936    0.832088    265.64    34.5685      ?         ?            ?         ?            
1 1 1 -63 1  1  o 11 2.93836      1.32441     333.49    -28.5625     43.5723   -28.5625     129.241   151.438      
1 1 1 -63 1  2  f 0  -0.0510629   0.655226    483.458   9.26529      ?         ?            ?         ?            
1 1 1 -63 1  3  o 19 10.3903      1.05064     552.82    59.2782      932.77    59.2782      216.438   59.2782      
1 1 1 -63 1  4  o 12 0.584363     0.574386    295.585   114.907      ?         ?            ?         ?            
1 1 1 -63 1  5  o 4  9.99669      1.04005     453.696   -23.138      916.003   -23.138      252.741   -23.138      
1 1 1 -63 1  6  o 8  3.0693       0.870639    730.38    109.636      21.7443   -70.3638     341.736   -70.3638     
1 1 1 -63 1  7  o 2  1.26754      0.589942    157.952   -106.058     50.1671   73.9416      96.7952   73.9416      
1 1 1 -63 1  8  o 13 0.611557     0.584339    235.691   -98.1801     133.914   81.8199      174.313   81.8199      
1 1 1 -63 1  9  o 18 1.49317      0.624546    152.922   -127.594     17.805    52.4063      78.8323   52.4063      
1 1 1 -63 1  10 o 4  5.2088       0.755397    855.837   53.4906      226.668   53.4906      279.247   -126.509     
1 1 1 -63 1  11 o 13 3.08069      0.613699    513.863   -47.9329     269.422   -47.9329     100.777   132.067      
1 1 1 -63 1  12 o 19 2.01484      0.661238    433.524   174.033      ?         ?            ?         ?            
1 1 1 -63 1  13 o 7  1.8376       0.670427    474.764   93.1985      ?         ?            ?         ?            
1 1 1 -63 1  14 o 9  4.08477      0.678211    631.631   -55.8454     ?         ?            ?         ?            
1 1 1 -63 1  15 o 19 0.596106     0.4957      132.889   88.3904      ?         ?            ?         ?            
1 1 1 -63 1  16 o 11 0.548441     0.515637    151.267   -30.6355     ?         ?            ?         ?            
1 1 1 -63 1  17 o 6  2.67622      0.615363    137.652   -172.554     ?         ?            ?         ?            
1 1 1 -63 1  18 o 7  -0.0543677   0.523427    81.673    162.301      ?         ?            ?         ?            
1 1 1 -63 3  1  o 11 14.0821      1.34718     747.94    -175.167     1061.4    -175.167     190.01    -175.167     
1 1 1 -63 3  2  f 0  5.73775      1.00025     323.486   -178.127     381.517   -178.127     43.6378   -178.127     
1 1 1 -63 3  3  f 0  6.89827      0.94322     847.979   -62.0224     430.912   -62.0224     169.922   117.978      
1 1 1 -63 3  4  o 7  31.8604      1.88605     1111.24   -26.6336     1978.39   -26.6336     484.141   -26.6336     
1 1 1 -63 3  5  o 18 5.92152      0.92164     751.641   -36.5849     455.814   -36.5849     114.011   143.415      
1 1 1 -63 3  6  o 8  15.8415      1.17531     1285.46   -154.753     926.209   -154.753     122.641   25.2469      
1 1 1 -63 3  7  o 1  2.20578      0.666702    391.927   -159.302     41.9538   -159.302     158.048   20.6977      
1 1 1 -63 3  8  f 0  16.416       1.14675     390.483   -37.0151     1545.06   -37.0151     593.676   -37.0151     
1 1 1 -63 3  9  o 17 6.71001      0.76523     716.757   -170.299     574.523   -170.299     41.6206   9.70077      
1 1 1 -63 3  10 o 13 2.56746      0.640971    464.684   -30.7517     197.357   -30.7517     114.196   149.248      
1 1 1 -63 3  11 o 10 15.5396      1.03823     629.916   116.659      1429.63   116.659      428.783   116.659      
1 1 1 -63 3  12 o 7  5.17746      0.643886    592.959   35.309       ?         ?            ?         ?            
1 1 1 -63 3  13 o 16 12.8993      0.938407    974.734   -57.5753     ?         ?            ?         ?            
1 1 1 -63 3  14 o 5  2.22274      0.707883    272.875   149.255      ?         ?            ?         ?            
1 1 1 -63 3  15 o 16 2.41753      0.592906    173.057   -31.4508     ?         ?            ?         ?            
1 1 1 -63 3  16 o 15 0.34388      0.5921      95.7005   -138.294     ?         ?            ?         ?            
1 1 1 -63 3  17 o 12 0.28598      0.537151    379.97    160.487      ?         ?            ?         ?            
1 1 1 -63 3  18 o 16 0.408166     0.472212    176.851   -65.3519     ?         ?            ?         ?            
1 1 1 -63 5  1  o 12 2.56719      0.83514     700.758   -29.115      96.9501   150.885      369.984   150.885      
1 1 1 -63 5  2  o 10 6.99754      0.866017    406.351   81.6106      748.443   81.6106      187.76    81.6106      
1 1 1 -63 5  3  o 12 1.21391      0.565921    312.281   -109.864     71.2505   70.1363      178.91    70.1363      
1 1 1 -63 5  4  o 11 16.5156      0.994755    827.601   -78.0424     1356.57   -78.0424     298.551   -78.0424     
1 1 1 -63 5  5  f 0  8.97714      0.821739    329.158   132.258      940.04    132.258      318.978   132.258      
1 1 1 -63 5  6  o 18 8.42585      0.831732    909.067   60.381       653.61    60.381       90.2344   -119.619     
1 1 1 -63 5  7  o 8  3.28518      0.670506    526.692   -19.5555     300.806   -19.5555     90.8724   160.444      
1 1 1 -63 5  8  o 5  3.38672      0.651386    241.865   -12.2318     338.947   -12.2318     59.1307   -12.2318     
1 1 1 -63 5  9  o 3  3.63996      0.631012    530.636   46.8877      391.326   46.8877      44.265    -133.112     
1 1 1 -63 5  10 o 8  0.253481     0.590873    183.022   72.7474      154.686   -107.253     158.76    -107.253     
1 1 1 -63 5  11 o 16 18.7736      1.08256     516.531   55.4501      ?         ?            ?         ?            
1 1 1 -63 5  12 o 8  1.04041      0.530895    139.298   -129.432     ?         ?            ?         ?            
1 1 1 -63 5  13 o 4  1.86638      0.542119    328.058   -33.9506     ?         ?            ?         ?            
1 1 1 -63 5  14 o 10 0.622166     0.51575     215.829   -140.989     ?         ?            ?         ?            
1 1 1 -63 5  15 o 13 1.60275      0.577288    318.579   -168.123     ?         ?            ?         ?            
1 1 1 -63 5  16 o 15 0.680348     0.607474    270.271   -81.852      ?         ?            ?         ?            
1 1 1 -63 7  1  o 9  1.69854      0.723347    486.296   156.687      16.366    -23.313      221.488   -23.313      
1 1 1 -63 7  2  o 18 18.0954      1.50067     993.393   118.734      1364.25   118.734      243.438   118.734      
1 1 1 -63 7  3  o 4  3.91422      0.781479    618.503   120.295      351.879   120.295      98.0328   -59.7048     
1 1 1 -63 7  4  o 19 0.933475     0.598083    231.727   -68.5745     ?         ?            ?         ?            
1 1 1 -63 7  5  o 9  1.35932      0.638852    283.226   60.6196      103.071   -119.38      176.493   -119.38      
1 1 1 -63 7  6  o 19 1.35043      0.601126    281.027   -167.936     56.6104   -167.936     94.759    12.0639      
1 1 1 -63 7  7  o 12 1.67369      0.605148    427.77    -100.926     101.515   -100.926     134.368   79.0745      
1 1 1 -63 7  8  o 5  2.75945      0.634546    257.104   26.2129      323.506   26.2129      52.3037   26.2129      
1 1 1 -63 7  9  f 0  1.32561      0.580243    321.63    122.851      ?         ?            ?         ?            
1 1 1 -63 7  10 o 7  1.22206      0.547967    290.805   -141.402     ?         ?            ?         ?            
1 1 1 -63 7  11 o 2  7.99476      0.800092    442.219   59.748       ?         ?            ?         ?            
1 1 1 -63 7  12 o 16 1.57145      0.644076    182.906   13.9614      ?         ?            ?         ?            
1 1 1 -63 7  13 o 12 3.09125      0.572245    155.301   -103.325     ?         ?            ?         ?            
1 1 1 -63 7  14 o 17 1.04125      0.794092    345.091   -40.5407     ?         ?            ?         ?            
1 1 1 -63 7  15 o 14 0.0199043    0.493667    21.723    76.2873      ?         ?            ?         ?            
1 1 1 -63 9  1  o 7  -0.498558    0.571854    214.992   65.9429      135.6     -114.057     152.922   -114.057     
1 1 1 -63 9  2  o 7  2.14597      0.767431    282.648   79.2446      288.735   79.2446      32.0728   79.2446      
1 1 1 -63 9  3  o 13 3.7614       0.734226    306.368   25.8481      598.28    25.8481      177.201   25.8481      
1 1 1 -63 9  4  o 5  0.350522     0.635521    462.292   147.444      143.726   -32.5564     255.828   -32.5564     
1 1 1 -63 9  5  o 17 2.56745      0.620231    288.513   29.0403      410.634   29.0403      90.7514   29.0403      
1 1 1 -63 9  6  o 13 1.209        0.563651    116.264   -95.3327     ?         ?            ?         ?            
1 1 1 -63 9  7  o 15 1.84712      0.574761    221.864   142.286      ?         ?            ?         ?            
1 1 1 -63 9  8  o 10 1.30729      0.571731    170.325   -109.346     ?         ?            ?         ?            
1 1 1 -63 9  9  o 11 1.48757      0.63758     467.238   81.8548      ?         ?            ?         ?            
1 1 1 -63 9  10 o 11 0.365894     0.683306    249.065   94.1098      ?         ?            ?         ?            
1 1 1 -63 9  11 o 6  1.18532      0.778813    213.636   75.2536      ?         ?            ?         ?            
1 1 1 -63 9  12 o 10 -0.655357    0.502589    271.404   162.902      ?         ?            ?         ?            
1 1 1 -62 0  1  o 9  -0.024645    0.769711    211.781   180          176.342   5.9103e-16   183.769   2.83572e-16  
1 1 1 -62 0  2  o 11 7.07096      1.09048     821.884   180          588.731   180          76.485    6.10267e-14  
1 1 1 -62 0  3  o 10 4.02661      0.989196    949.093   180          115.918   180          370.242   9.21356e-15  
1 1 1 -62 0  4  o 18 3.10178      0.922761    214.459   0            22.4814   0            85.5182   180          
1 1 1 -62 0  5  o 17 59.8004      3.00368     1773.46   180          2689.18   180          544.312   180          
1 1 1 -62 0  6  f 0  0.822011     0.731769    485.982   0            434.287   180          436.561   180          
1 1 1 -62 0  7  o 17 -0.456398    0.595023    523.479   180          ?         ?            ?         ?            
1 1 1 -62 0  8  o 11 8.49257      1.62597     971.219   180          690.213   180          95.0312   5.79791e-14  
1 1 1 -62 0  9  o 2  9.10547      1.13433     1384.06   180          336.674   180          461.352   1.21372e-14  
1 1 1 -62 0  10 o 15 4.65607      0.919833    546.747   180          517.831   180          8.96374   180          
1 1 1 -62 0  11 o 12 1.76558      1.06743     238.537   180          36.7024   3.48271e-14  127.788   5.00141e-15  
1 1 1 -62 0  12 o 13 7.1064       1.46695     410.813   180          886.656   180          255.299   180          
1 1 1 -62 0  13 o 8  4.93328      1.30451     645.615   0            ?         ?            ?         ?            
1 1 1 -62 0  14 o 6  1.77009      0.760253    139.216   180          ?         ?            ?         ?            
1 1 1 -62 0  15 o 2  9.68494      1.07991     461.197   180          ?         ?            ?         ?            
1 1 1 -62 0  16 o 8  0.111459     0.692275    29.1291   0            ?         ?            ?         ?            
1 1 1 -62 0  17 o 5  0.799043     0.697737    279.033   0            ?         ?            ?         ?            
1 1 1 -62 0  18 o 13 0.241574     0.633537    449.747   180          ?         ?            ?         ?            
1 1 1 -62 2  1  o 19 13.8275      1.22257     840.775   -155.843     1071.62   -155.843     155.731   -155.843     
1 1 1 -62 2  2  o 17 0.823192     0.682743    431.61    2.37344      254.112   -177.627     322.01    -177.627     
1 1 1 -62 2  3  o 15 18.3853      1.31238     488.04    157.439      1489.58   157.439      524.415   157.439      
1 1 1 -62 2  4  f 0  0.939584     0.669739    673.906   79.7708      395.239   -100.229     501.937   -100.229     
1 1 1 -62 2  5  o 7  3.13348      0.694107    439.336   -66.9042     195.4     113.096      296.177   113.096      
1 1 1 -62 2  6  o 12 3.6901       0.719524    573.75    -97.9621     131.504   -97.9621     193.711   82.0379      
1 1 1 -62 2  7  o 3  4.4647       0.907567    210.444   -104.637     108.418   -104.637     41.1393   75.3634      
1 1 1 -62 2  8  o 14 25.1603      1.26415     1316.13   -136.388     1409.9    -136.388     106.799   -136.388     
1 1 1 -62 2  9  o 16 4.45716      0.752592    330.531   -54.1543     366.92    -54.1543     32.6174   -54.1543     
1 1 1 -62 2  10 o 15 3.97584      0.615689    693.01    -155.627     45.6803   24.373       340.404   24.373       
1 1 1 -62 2  11 o 7  11.2426      0.816108    335.878   -138.14      1202.02   -138.14      446.921   -138.14      
1 1 1 -62 2  12 o 17 1.5344       0.573854    261.716   -21.2165     ?         ?            ?         ?            
1 1 1 -62 2  13 o 10 20.0435      1.07519     1005.25   -128.382     ?         ?            ?         ?            
1 1 1 -62 2  14 o 1  2.60353      0.633121    340.206   34.4026      ?         ?            ?         ?            
1 1 1 -62 2  15 o 16 3.28988      0.741451    592.527   -50.4262     ?         ?            ?         ?            
1 1 1 -62 2  16 o 8  1.96009      0.665585    407.721   -120.796     ?         ?            ?         ?            
1 1 1 -62 2  17 o 7  0.806974     0.523597    277.254   11.2671      ?         ?            ?         ?            
1 1 1 -62 2  18 o 11 0.369555     0.440494    283.127   171.256      ?         ?            ?         ?            
1 1 1 -62 4  1  o 2  17.1639      1.20847     234.883   100.217      1289.19   100.217      537.548   100.217      
1 1 1 -62 4  2  o 11 6.573        0.859504    422.43    150.879      652.26    150.879      133.897   150.879      
1 1 1 -62 4  3  o 18 3.86964      0.787456    508.357   -59.1528     30.8226   -59.1528     215.764   120.847      
1 1 1 -62 4  4  o 15 7.8202       0.892197    805.297   62.9595      639.794   62.9595      46.3548   -117.041     
1 1 1 -62 4  5  o 12 15.3599      1.03611     414.695   120.679      1424.56   120.679      523.501   120.679      
1 1 1 -62 4  6  o 13 2.98054      0.639491    876.895   -70.458      278.584   109.542      539.171   109.542      
1 1 1 -62 4  7  f 0  3.42515      0.657197    385.059   -15.9404     283.799   -15.9404     34.1181   164.06       
1 1 1 -62 4  8  o 3  7.81599      0.807597    494.251   71.1552      822.617   71.1552      184.804   71.1552      
1 1 1 -62 4  9  o 1  5.77207      0.764313    864.122   -123.854     293.877   -123.854     249.583   56.1464      
1 1 1 -62 4  10 o 2  2.57942      0.592261    494.483   77.9242      175.877   77.9242      138.384   -102.076     
1 1 1 -62 4  11 o 18 6.26313      0.710791    245.127   20.788       699.885   20.788       238.897   20.788       
1 1 1 -62 4  12 o 19 3.46581      0.602581    687.357   153.654      ?         ?            ?         ?            
1 1 1 -62 4  13 o 9  5.51176      0.686489    232.156   49.2597      ?         ?            ?         ?            
1 1 1 -62 4  14 o 4  2.10313      0.521085    402.287   -114.07      ?         ?            ?         ?            
1 1 1 -62 4  15 o 1  2.3695       0.605802    308.441   75.8494      ?         ?            ?         ?            
1 1 1 -62 4  16 o 16 0.96578      0.592301    134.194   52.6056      ?         ?            ?         ?            
1 1 1 -62 4  17 o 6  1.08193      0.510797    278.213   -115.953     ?         ?            ?         ?            
1 1 1 -62 6  1  o 2  6.62205      0.981439    538.75    -86.8369     697.672   -86.8369     102.217   -86.8369     
1 1 1 -62 6  2  o 6  15.9822      1.14544     934.941   -22.6708     1252.71   -22.6708     197.827   -22.6708     
1 1 1 -62 6  3  o 7  0.764394     0.567698    268.655   111.571      151.744   -68.4293     199.062   -68.4293     
1 1 1 -62 6  4  o 8  6.68766      0.809294    581.62    163.987      642.012   163.987      54.324    163.987      
1 1 1 -62 6  5  o 9  9.25358      0.859433    627.234   -49.6172     837.855   -49.6172     131.507   -49.6172     
1 1 1 -62 6  6  o 1  1.97197      0.608678    359.876   -44.2965     27.2608   -44.2965     151.001   135.703      
1 1 1 -62 6  7  o 4  8.79644      0.819589    862.766   55.9029      715.576   55.9029      35.4173   -124.097     
1 1 1 -62 6  8  o 18 20.5049      1.17117     773.461   -117.945     1694.94   -117.945     497.587   -117.945     
1 1 1 -62 6  9  f 0  2.85233      0.596089    270.782   -148.935     317.204   -148.935     37.7191   -148.935     
1 1 1 -62 6  10 o 11 4.41974      0.673946    604.911   90.7567      ?         ?            ?         ?            
1 1 1 -62 6  11 o 8  -0.0389104   0.565047    193.321   61.1889      ?         ?            ?         ?            
1 1 1 -62 6  12 o 7  4.58543      0.657506    225.406   165.115      ?         ?            ?         ?            
1 1 1 -62 6  13 o 14 4.06787      0.663681    522.164   63.2819      ?         ?            ?         ?            
1 1 1 -62 6  14 f 0  1.32963      0.550088    171.482   98.9256      ?         ?            ?         ?            
1 1 1 -62 6  15 o 8  4.51844      0.682934    425.551   -20.8346     ?         ?            ?         ?            
1 1 1 -62 6  16 o 8  2.10275      0.896113    186.577   127.628      ?         ?            ?         ?            
1 1 1 -62 8  1  o 18 1.64155      0.680165    395.948   -16.92       122.234   163.08       229.195   163.08       
1 1 1 -62 8  2  o 8  4.2052       0.777751    429.263   -55.0177     570.008   -55.0177     101.401   -55.0177     
1 1 1 -62 8  3  o 4  4.82228      0.788206    405.484   -160.413     603.24    -160.413     127.585   -160.413     
1 1 1 -62 8  4  o 10 1.09328      0.5918      142.132   -159.694     46.6836   20.3056      84.3095   20.3056      
1 1 1 -62 8  5  o 3  -0.247728    0.54217     260.745   -59.9963     ?         ?            ?         ?            
1 1 1 -62 8  6  o 1  0.13477      0.530919    194.243   12.5717      ?         ?            ?         ?            
1 1 1 -62 8  7  o 7  1.96968      0.590964    259.715   1.6976       232.154   1.6976       7.54038   1.6976       
1 1 1 -62 8  8  o 1  1.36426      0.559185    348.743   -176.428     ?         ?            ?         ?            
1 1 1 -62 8  9  o 19 2.47084      0.635847    307.974   -164.451     ?         ?            ?         ?            
1 1 1 -62 8  10 o 8  0.600335     0.526236    98.5682   -99.9042     ?         ?            ?         ?            
1 1 1 -62 8  11 o 15 1.71851      0.552142    434.555   -47.691      ?         ?            ?         ?            
1 1 1 -62 8  12 o 8  1.92941      0.625354    403.312   70.1395      ?         ?            ?         ?            
1 1 1 -62 8  13 o 8  0.653448     0.743       193.609   62.1687      ?         ?            ?         ?            
1 1 1 -62 8  14 o 3  -0.203885    0.515236    224.923   113.699      ?         ?            ?         ?            
1 1 1 -62 10 1  o 2  2.02692      0.74037     453.659   18.9593      236.354   18.9593      58.366    -161.041     
1 1 1 -62 10 2  o 13 0.359935     0.638111    71.0483   -115.652     21.2779   64.3479      38.3669   64.3479      
1 1 1 -62 10 3  o 14 7.30123      0.811157    792.434   147.583      777.263   147.583      78.9926   147.583      
1 1 1 -62 10 4  o 10 0.414938     0.576664    417.572   -106.133     ?         ?            ?         ?            
1 1 1 -62 10 5  o 12 0.66056      0.557018    170.079   -157.254     ?         ?            ?         ?            
1 1 1 -62 10 6  o 5  2.38013      0.714287    405.444   5.77065      ?         ?            ?         ?            
1 1 1 -62 10 7  o 11 1.96359      0.667921    286.54    -145.302     ?         ?            ?         ?            
1 1 1 -62 10 8  o 2  2.26738      0.776778    327.626   166.538      ?         ?            ?         ?            
1 1 1 -62 10 9  f 0  0.866108     0.867175    208.184   103.884      ?         ?            ?         ?            
1 1 1 -62 10 10 f 0  2.6429       0.714066    295.106   -76.5931     ?         ?            ?         ?            
1 1 1 -61 1  1  o 3  0.428715     0.559946    262.373   35.8196      ?         ?            ?         ?            
1 1 1 -61 1  2  o 16 15.6746      1.04226     1058.26   171.607      1063.75   171.607      54.4015   171.607      
1 1 1 -61 1  3  o 15 8.57138      0.77183     971.425   -15.354      525.842   -15.354      175.424   164.646      
1 1 1 -61 1  4  o 12 1.02697      0.507589    427.089   -81.9709     241.254   98.0291      313.34    98.0291      
1 1 1 -61 1  5  o 9  25.4514      1.39481     1071.42   -5.15794     1591.69   -5.15794     312.467   -5.15794     
1 1 1 -61 1  6  o 8  5.04459      0.799509    274.179   165.682      220.82    165.682      13.2804   -14.3185     
1 1 1 -61 1  7  o 19 6.73918      0.714702    584.863   -75.2761     437.161   -75.2761     45.3758   104.724      
1 1 1 -61 1  8  o 12 9.91009      0.935619    777.236   24.9475      831.308   24.9475      64.3663   24.9475      
1 1 1 -61 1  9  o 11 2.93333      0.590558    245.094   -60.8388     66.4552   -60.8388     77.8919   119.161      
1 1 1 -61 1  10 o 15 30.4853      1.55515     897.321   -118.142     2075.04   -118.142     628.723   -118.142     
1 1 1 -61 1  11 o 8  4.81284      0.753813    566.105   159.944      415.458   159.944      51.529    -20.0561     
1 1 1 -61 1  12 o 8  10.283       0.91845     759.133   -70.1768     914.037   -70.1768     108.749   -70.1768     
1 1 1 -61 1  13 o 17 1.68677      0.524039    279.207   -72.1645     ?         ?            ?         ?            
1 1 1 -61 1  14 o 15 0.180935     0.532045    61.4351   -142.519     ?         ?            ?         ?            
1 1 1 -61 1  15 o 15 3.39984      0.675266    544.923   -178.598     ?         ?            ?         ?            
1 1 1 -61 1  16 o 6  1.3661       0.502341    217.49    50.9007      ?         ?            ?         ?            
1 1 1 -61 1  17 o 19 1.23792      0.502342    316.028   -123.801     ?         ?            ?         ?            
1 1 1 -61 1  18 o 8  0.573782     0.505952    366.792   -9.18271     ?         ?            ?         ?            
1 1 1 -61 1  19 o 16 0.515899     0.5023      204.117   -26.6001     ?         ?            ?         ?            
1 1 1 -61 3  1  o 17 20.8241      1.42789     900.393   51.9398      1461.81   51.9398      324.091   51.9398      
1 1 1 -61 3  2  o 6  11.0054      1.20777     403.741   14.4654      891.762   14.4654      263.585   14.4654      
1 1 1 -61 3  3  o 15 8.58174      0.969209    1241.16   89.9842      285.161   89.9842      417.69    -90.0158     
1 1 1 -61 3  4  o 13 3.18328      0.783413    620.481   -93.7698     74.9414   -93.7698     242.635   86.2302      
1 1 1 -61 3  5  o 11 4.33619      0.869455    252.261   -108.453     31.7509   -108.453     98.0476   71.5465      
1 1 1 -61 3  6  o 11 1.44143      0.607776    482.555   60.0343      ?         ?            ?         ?            
1 1 1 -61 3  7  o 15 11.6677      1.02401     876.786   60.6431      907.989   60.6431      56.9506   60.6431      
1 1 1 -61 3  8  o 10 4.21279      0.783947    916.761   -21.8053     134.411   158.195      483.603   158.195      
1 1 1 -61 3  9  o 17 1.09363      0.559897    178.627   -128.693     108.957   51.3074      135.952   51.3074      
1 1 1 -61 3  10 o 6  2.92123      0.610901    542.941   -106.288     102.176   -106.288     197.624   73.7122      
1 1 1 -61 3  11 o 1  1.05054      0.527389    137.881   -156.403     44.2023   23.5972      85.3641   23.5972      
1 1 1 -61 3  12 o 14 1.79945      0.597464    373.593   5.42         3.38299   5.42         168.676   -174.58      
1 1 1 -61 3  13 o 3  6.13173      0.709593    361.422   38.2535      ?         ?            ?         ?            
1 1 1 -61 3  14 o 6  4.59799      0.837479    333.914   -17.0842     ?         ?            ?         ?            
1 1 1 -61 3  15 o 12 1.36199      0.524629    198.865   153.458      ?         ?            ?         ?            
1 1 1 -61 3  16 o 8  2.68089      0.607998    286.182   -10.7984     ?         ?            ?         ?            
1 1 1 -61 3  17 o 7  0.692382     0.527351    107.503   157.248      ?         ?            ?         ?            
1 1 1 -61 3  18 f 0  0.937984     0.538529    85.1283   -42.4367     ?         ?            ?         ?            
1 1 1 -61 5  1  o 7  30.534       1.72001     1211.66   100.123      1793.89   100.123      343.557   100.123      
1 1 1 -61 5  2  o 4  10.6936      0.999908    952.927   151.257      794.686   151.257      37.2652   -28.7432     
1 1 1 -61 5  3  o 18 5.88409      0.852889    465.343   117.478      427.938   117.478      1.87404   117.478      
1 1 1 -61 5  4  o 12 5.76682      0.746666    624.518   46.9743      531.393   46.9743      18.9939   -133.026     
1 1 1 -61 5  5  o 7  14.0292      0.955258    559.095   -145.753     1206.31   -145.753     348.044   -145.753     
1 1 1 -61 5  6  o 8  1.15124      0.542649    112.742   -60.7025     40.6594   119.298      71.8593   119.298      
1 1 1 -61 5  7  o 14 5.44791      0.706171    86.475    -166.129     180.079   -166.129     50.4332   -166.129     
1 1 1 -61 5  8  o 19 0.853266     0.521406    278.294   81.0311      135.153   -98.9689     195.251   -98.9689     
1 1 1 -61 5  9  o 4  3.77397      0.643397    576.747   -169.433     339.974   -169.433     94.493    10.5671      
1 1 1 -61 5  10 o 14 2.95855      0.709909    501.847   -122.177     262.231   -122.177     97.7686   57.8225      
1 1 1 -61 5  11 o 18 2.51085      0.577158    189.852   34.8579      221.755   34.8579      25.5089   34.8579      
1 1 1 -61 5  12 o 10 4.05335      0.618236    101.617   81.3765      ?         ?            ?         ?            
1 1 1 -61 5  13 o 4  4.79435      0.662906    628.937   131.823      ?         ?            ?         ?            
1 1 1 -61 5  14 o 14 -0.0124471   0.484919    789.726   12.7216      ?         ?            ?         ?            
1 1 1 -61 5  15 o 11 0.794611     0.481431    344.626   -100.482     ?         ?            ?         ?            
1 1 1 -61 5  16 o 7  0.601395     0.500404    243.648   100.122      ?         ?            ?         ?            
1 1 1 -61 5  17 o 13 2.21814      0.679383    424.585   27.5596      ?         ?            ?         ?            
1 1 1 -61 7  1  o 3  16.7735      1.08851     560.007   -80.0942     1550.78   -80.0942     521.296   -80.0942     
1 1 1 -61 7  2  o 10 4.76338      0.771193    305.372   -101.952     561.921   -101.952     141.967   -101.952     
1 1 1 -61 7  3  o 10 8.16949      0.842409    529.633   -71.372      821.751   -71.372      169.51    -71.372      
1 1 1 -61 7  4  o 13 8.55465      0.843667    583.326   -14.001      878.066   -14.001      173.277   -14.001      
1 1 1 -61 7  5  o 7  2.2744       0.621937    262.084   -57.1104     126.679   -57.1104     55.8345   122.89       
1 1 1 -61 7  6  o 8  11.6619      0.923769    686.603   25.6026      1073.77   25.6026      225.963   25.6026      
1 1 1 -61 7  7  o 16 5.84859      0.741783    520.747   138.208      659.711   138.208      95.7913   138.208      
1 1 1 -61 7  8  o 11 2.1598       0.614599    147.818   90.8949      131.214   90.8949      0.0265205 -89.1051     
1 1 1 -61 7  9  o 16 3.09169      0.6508      529.132   -139.812     352.899   -139.812     54.2247   40.1875      
1 1 1 -61 7  10 o 16 9.81724      0.835902    620.953   -29.8227     ?         ?            ?         ?            
1 1 1 -61 7  11 o 16 1.34811      0.53818     337.614   155.207      ?         ?            ?         ?            
1 1 1 -61 7  12 o 13 3.27299      0.710586    204.936   -58.4686     ?         ?            ?         ?            
1 1 1 -61 7  13 o 8  4.12208      0.619727    271.446   -53.0957     ?         ?            ?         ?            
1 1 1 -61 7  14 o 13 1.95014      0.628339    194.115   -117.782     ?         ?            ?         ?            
1 1 1 -61 7  15 o 17 3.96615      0.852887    396.935   120.637      ?         ?            ?         ?            
1 1 1 -61 9  1  o 17 1.04812      0.668717    351.711   -158.994     16.5624   -158.994     135.216   21.006       
1 1 1 -61 9  2  o 1  4.1148       0.704162    320.215   -104.404     632.91    -104.404     184.987   -104.404     
1 1 1 -61 9  3  o 11 10.5047      0.964367    550.885   -79.5885     1210.98   -79.5885     378.658   -79.5885     
1 1 1 -61 9  4  o 10 1.0495       0.578567    161.471   -103.699     3.35193   76.3008      68.1141   76.3008      
1 1 1 -61 9  5  o 9  1.0532       0.560935    254.011   16.6624      36.8994   16.6624      85.6172   -163.338     
1 1 1 -61 9  6  o 15 1.58916      0.568389    306.079   127.721      180.68    127.721      34.1306   -52.2793     
1 1 1 -61 9  7  f 0  -0.0382202   0.517414    111.112   -62.4092     ?         ?            ?         ?            
1 1 1 -61 9  8  o 8  2.20821      0.581761    367.22    78.1876      ?         ?            ?         ?            
1 1 1 -61 9  9  o 1  1.1323       0.546534    92.583    16.5215      ?         ?            ?         ?            
1 1 1 -61 9  10 o 3  0.674882     0.591112    276.802   -178.691     ?         ?            ?         ?            
1 1 1 -61 9  11 o 15 2.98262      0.63455     389.286   -47.9674     ?         ?            ?         ?            
1 1 1 -61 9  12 o 3  2.16959      0.979999    208.429   -158.018     ?         ?            ?         ?            
1 1 1 -61 9  13 o 14 0.372342     0.597345    84.603    44.8074      ?         ?            ?         ?            
1 1 1 -61 11 1  o 12 0.173903     0.591563    342.058   -62.182      183.451   117.818      220.336   117.818      
1 1 1 -61 11 2  o 8  1.73216      0.808622    670.045   67.4297      ?         ?            ?         ?            
1 1 1 -61 11 3  o 13 2.1319       0.668904    483.357   -91.9941     ?         ?            ?         ?            
1 1 1 -61 11 4  o 2  0.292254     0.620923    159.112   -138.266     ?         ?            ?         ?            
1 1 1 -61 11 5  o 10 2.34916      0.792632    104.1     -152.956     ?         ?            ?         ?            
1 1 1 -61 11 6  f 0  0.935247     0.615323    656.882   152.816      ?         ?            ?         ?            
1 1 1 -61 11 7  o 2  0.505918     0.596574    186.315   27.8765      ?         ?            ?         ?            
1 1 1 -61 11 8  o 15 1.88305      0.587446    217.616   -41.8712     ?         ?            ?         ?            
1 1 1 -60 0  1  o 9  6.93896      1.04591     333.581   0            ?         ?            ?         ?            
1 1 1 -60 0  2  o 18 0.39972      0.65425     278.999   0            ?         ?            ?         ?            
1 1 1 -60 0  3  o 7  3.19459      0.834434    262.242   0            74.6286   180          155.882   180          
1 1 1 -60 0  4  o 16 21.4653      1.57202     756.919   0            1842.53   0            579.074   0            
1 1 1 -60 0  5  o 8  5.57807      1.17329     552.028   0            391.333   0            53.7795   180          
1 1 1 -60 0  6  o 12 2.42452      0.839905    271.468   0            18.5459   180          131.851   180          
1 1 1 -60 0  7  o 18 25.2213      2.24756     639.421   0            2163.52   0            793.241   0            
1 1 1 -60 0  8  o 14 15.6356      1.47628     728.622   180          1474.61   180          408.58    180          
1 1 1 -60 0  9  o 2  10.7209      1.15701     1039.17   0            840.052   0            49.412    180          
1 1 1 -60 0  10 o 10 15.4078      1.35964     993.711   0            1195.44   0            147.228   0            
1 1 1 -60 0  11 o 17 2.06296      0.724795    148.624   0            24.6603   180          80.0921   180          
1 1 1 -60 0  12 o 7  0.174832     0.574052    356.06    180          279.203   1.18756e-15  302.83    5.4745e-16   
1 1 1 -60 0  13 o 6  3.19845      1.17936     292.634   0            248.855   0            9.64326   180          
1 1 1 -60 0  14 o 5  5.15463      1.41585     190.416   0            ?         ?            ?         ?            
1 1 1 -60 0  15 o 12 8.13024      1.18902     600.944   0            ?         ?            ?         ?            
1 1 1 -60 0  16 f 0  6.26637      0.89809     351.694   180          ?         ?            ?         ?            
1 1 1 -60 0  17 o 2  0.912592     0.640024    232.957   180          ?         ?            ?         ?            
1 1 1 -60 0  18 o 17 9.69435      1.15958     841.895   0            ?         ?            ?         ?            
1 1 1 -60 0  19 o 9  3.88722      1.07377     139.063   180          ?         ?            ?         ?            
1 1 1 -60 2  1  o 19 4.40658      0.679801    911.045   116.799      141.898   -63.2007     482.073   -63.2007     
1 1 1 -60 2  2  o 8  22.918       1.20024     1075.31   -128.087     1490.31   -128.087     259.717   -128.087     
1 1 1 -60 2  3  o 8  4.16016      0.643716    308.299   40.3252      142.263   40.3252      68.075    -139.675     
1 1 1 -60 2  4  o 4  11.3169      0.91449     112.932   -47.9322     257.572   -47.9322     77.7975   -47.9322     
1 1 1 -60 2  5  f 0  9.07189      0.822096    983.521   63.4294      272.717   63.4294      307.56    -116.571     
1 1 1 -60 2  6  o 11 3.57236      0.640171    82.2602   75.7797      49.0295   -104.22      61.6291   -104.22      
1 1 1 -60 2  7  o 3  10.5692      1.01419     763.323   136.027      840.745   136.027      76.0052   136.027      
1 1 1 -60 2  8  o 16 41.8893      1.69999     1409.31   76.2984      2177.7    76.2984      452.53    76.2984      
1 1 1 -60 2  9  o 10 3.567        0.614831    184.139   120.36       11.191    120.36       77.7497   -59.6402     
1 1 1 -60 2  10 o 13 9.11837      0.871436    363.361   80.8687      819.024   80.8687      244.304   80.8687      
1 1 1 -60 2  11 o 1  2.2262       0.627052    138.59    -164.377     37.9781   -164.377     44.3829   15.6231      
1 1 1 -60 2  12 o 2  10.1627      0.827475    746.427   137.375      915.713   137.375      115.346   137.375      
1 1 1 -60 2  13 o 6  7.61408      0.718073    456.741   96.123       ?         ?            ?         ?            
1 1 1 -60 2  14 o 3  6.05337      0.691799    228.784   110.538      ?         ?            ?         ?            
1 1 1 -60 2  15 o 4  5.54487      0.673695    668.832   25.7875      ?         ?            ?         ?            
1 1 1 -60 2  16 f 0  0.961988     0.529171    640.255   158.49       ?         ?            ?         ?            
1 1 1 -60 2  17 o 9  1.34792      0.721017    178.028   -15.1555     ?         ?            ?         ?            
1 1 1 -60 2  18 o 15 4.57507      0.613943    563.275   27.0484      ?         ?            ?         ?            
1 1 1 -60 2  19 o 13 5.53698      0.677247    413.981   175.135      ?         ?            ?         ?            
1 1 1 -60 4  1  o 3  28.9268      1.4418      1123.41   -100.013     1804.31   -100.013     394.375   -100.013     
1 1 1 -60 4  2  o 18 10.3424      0.970319    589.867   -176.887     581.792   -176.887     24.4756   -176.887     
1 1 1 -60 4  3  o 10 28.9053      1.57371     1214.1    95.6192      1744.03   95.6192      323.8     95.6192      
1 1 1 -60 4  4  o 14 11.9417      0.981789    708.297   -101.092     1001.22   -101.092     180.757   -101.092     
1 1 1 -60 4  5  o 13 5.48688      0.969638    379.114   -49.8092     293.739   -49.8092     24.4136   130.191      
1 1 1 -60 4  6  o 10 3.70187      0.850418    320.391   109.647      218.809   109.647      35.505    -70.3527     
1 1 1 -60 4  7  f 0  13.7825      1.11283     670.015   -164.768     1201.31   -164.768     297.006   -164.768     
1 1 1 -60 4  8  o 10 12.1902      0.985232    750.935   118.279      1022.56   118.279      169.863   118.279      
1 1 1 -60 4  9  f 0  30.5656      1.47171     833.087   19.8667      2156.49   19.8667      697.878   19.8667      
1 1 1 -60 4  10 o 19 1.44767      0.605503    451.721   -149.489     108.233   30.5113      261.181   30.5113      
1 1 1 -60 4  11 o 6  1.8672       0.578111    592.662   -120.143     19.7077   59.857       281.683   59.857       
1 1 1 -60 4  12 o 7  6.16368      0.694032    267.125   102.616      736.13    102.616      246.518   102.616      
1 1 1 -60 4  13 o 2  1.0881       0.513185    245.268   -10.1594     ?         ?            ?         ?            
1 1 1 -60 4  14 o 6  5.2854       0.665569    434.638   63.0528      ?         ?            ?         ?            
1 1 1 -60 4  15 o 4  1.80905      0.577545    132.054   34.3258      ?         ?            ?         ?            
1 1 1 -60 4  16 o 18 2.73267      0.584145    429.834   -163.17      ?         ?            ?         ?            
1 1 1 -60 4  17 f 0  0.871135     0.48675     515.769   -15.1522     ?         ?            ?         ?            
1 1 1 -60 4  18 o 4  2.55095      0.536324    268.923   20.0921      ?         ?            ?         ?            
1 1 1 -60 6  1  o 19 30.4586      1.57674     596.642   131.909      2313.54   131.909      883.425   131.909      
1 1 1 -60 6  2  o 16 11.2293      1.02457     206.746   69.0008      953.248   69.0008      382.003   69.0008      
1 1 1 -60 6  3  o 10 5.49287      0.76624     292.912   165.052      439.463   165.052      85.7409   165.052      
1 1 1 -60 6  4  o 2  16.2253      0.984799    682.095   152.074      1416.85   152.074      396.351   152.074      
1 1 1 -60 6  5  o 11 11.8061      0.919687    604.684   110.583      1105.8    110.583      276.028   110.583      
1 1 1 -60 6  6  f 0  4.21321      0.715973    868.073   -130.53      109.552   -130.53      343.16    49.4701      
1 1 1 -60 6  7  o 17 3.32622      0.624122    338.619   -114.957     78.162    -114.957     116.291   65.043       
1 1 1 -60 6  8  o 10 1.3377       0.538396    286.254   68.8899      68.0194   -111.11      165.284   -111.11      
1 1 1 -60 6  9  o 6  6.10688      0.721948    595.746   29.4119      629.005   29.4119      42.4198   29.4119      
1 1 1 -60 6  10 o 11 2.5201       0.59317     443.089   -130.571     156.532   -130.571     121.941   49.4285      
1 1 1 -60 6  11 o 15 1.85731      0.653726    100.73    -147.768     ?         ?            ?         ?            
1 1 1 -60 6  12 o 16 0.623359     0.479194    290.933   -146.319     ?         ?            ?         ?            
1 1 1 -60 6  13 o 15 1.56144      0.553495    385.159   -46.895      ?         ?            ?         ?            
1 1 1 -60 6  14 o 13 4.10783      0.697367    492       -171.529     ?         ?            ?         ?            
1 1 1 -60 6  15 o 3  0.990265     0.53119     307.957   46.8199      ?         ?            ?         ?            
1 1 1 -60 6  16 o 16 0.726058     0.726653    344.514   -78.7278     ?         ?            ?         ?            
1 1 1 -60 6  17 o 6  0.201993     0.54903     85.5692   -92.9345     ?         ?            ?         ?            
1 1 1 -60 8  1  o 14 1.59804      0.661946    631.525   126.92       65.334    -53.08       312.955   -53.08       
1 1 1 -60 8  2  o 10 12.3189      0.96253     872.369   -144.046     1052.38   -144.046     136.898   -144.046     
1 1 1 -60 8  3  o 2  8.75294      0.803644    914.062   36.8635      700.433   36.8635      58.5766   -143.136     
1 1 1 -60 8  4  o 7  2.19178      0.595878    543.142   163.111      152.931   163.111      166.264   -16.8889     
1 1 1 -60 8  5  o 16 2.61727      0.612135    375.121   -153.025     128.739   -153.025     102.642   26.9745      
1 1 1 -60 8  6  o 3  1.63261      0.556795    411.281   -70.6445     101.719   109.356      232.634   109.356      
1 1 1 -60 8  7  o 9  0.998113     0.547824    500.338   -90.9832     241.312   89.0168      339.231   89.0168      
1 1 1 -60 8  8  o 18 3.35536      0.621017    309.701   120.312      464.696   120.312      99.282    120.312      
1 1 1 -60 8  9  o 17 9.68951      0.804863    404.011   -90.5484     ?         ?            ?         ?            
1 1 1 -60 8  10 o 17 0.610882     0.534582    195.952   132.856      ?         ?            ?         ?            
1 1 1 -60 8  11 o 5  7.24427      0.720982    633.871   105.282      ?         ?            ?         ?            
1 1 1 -60 8  12 o 4  3.99309      0.700754    361.658   -163.947     ?         ?            ?         ?            
1 1 1 -60 8  13 o 1  -0.400461    0.456955    382.513   -110.19      ?         ?            ?         ?            
1 1 1 -60 8  14 o 7  1.19695      0.6713      197.969   -79.1043     ?         ?            ?         ?            
1 1 1 -60 8  15 o 8  0.974397     0.555303    113.196   -84.1282     ?         ?            ?         ?            
1 1 1 -60 10 1  o 17 1.31283      0.724786    463.342   163.222      65.1658   163.222      150.744   -16.7779     
1 1 1 -60 10 2  o 7  0.680178     0.55712     490.297   -97.1288     127.428   82.8712      258.298   82.8712      
1 1 1 -60 10 3  o 2  3.9486       0.71827     654.246   10.3698      456.277   10.3698      31.88     -169.63      
1 1 1 -60 10 4  o 4  -0.0073939   0.506726    550.7     5.4129       276.223   -174.587     356.871   -174.587     
1 1 1 -60 10 5  o 4  -0.111976    0.503966    348.518   -161.104     164.713   18.8964      220.484   18.8964      
1 1 1 -60 10 6  o 17 0.253253     0.507866    145.099   158.355      ?         ?            ?         ?            
1 1 1 -60 10 7  o 11 1.1661       0.529474    348.07    32.2661      ?         ?            ?         ?            
1 1 1 -60 10 8  o 9  1.61791      0.658027    259.436   -158.168     ?         ?            ?         ?            
1 1 1 -60 10 9  o 6  0.904913     0.823001    252.706   119.794      ?         ?            ?         ?            
1 1 1 -60 10 10 o 12 0.541595     0.563751    154.431   -51.7826     ?         ?            ?         ?            
1 1 1 -60 10 11 o 14 3.65555      0.907869    388.566   122.586      ?         ?            ?         ?            
1 1 1 -59 1  1  o 8  7.5728       0.758081    669.757   -11.1464     374.248   -11.1464     115.975   168.854      
1 1 1 -59 1  2  o 6  15.702       1.0115      1038.59   45.028       801.056   45.028       69.8243   -134.972     
1 1 1 -59 1  3  o 1  23.1358      1.1385      1238.95   174.263      1375.32   174.263      126.407   174.263      
1 1 1 -59 1  4  f 0  6.37492      0.678597    225.207   -132.304     251.071   -132.304     23.5285   -132.304     
1 1 1 -59 1  5  o 4  5.50082      0.647139    565.076   169.09       294.023   169.09       108.798   -10.9101     
1 1 1 -59 1  6  o 6  10.0496      0.901633    1082.32   38.6347      442.679   38.6347      268.156   -141.365     
1 1 1 -59 1  7  o 9  39.0235      1.44781     1393.02   113.607      1938.67   113.607      340.099   113.607      
1 1 1 -59 1  8  o 11 36.3028      1.54935     1271.22   -119.63      2049.97   -119.63      451.377   -119.63      
1 1 1 -59 1  9  o 13 11.8451      0.881396    668.534   85.8894      944.08    85.8894      170.393   85.8894      
1 1 1 -59 1  10 o 15 10.313       0.847119    577.92    103.697      957.941   103.697      217.662   103.697      
1 1 1 -59 1  11 o 6  26.3308      1.20934     893.39    48.5613      1859.41   48.5613      523.772   48.5613      
1 1 1 -59 1  12 o 11 3.29637      0.593263    684.74    18.4845      128.06    18.4845      249.13    -161.515     
1 1 1 -59 1  13 o 15 21.0992      1.24665     750.144   166.573      1720.44   166.573      516.016   166.573      
1 1 1 -59 1  14 o 1  1.24784      0.552096    248.707   127.366      ?         ?            ?         ?            
1 1 1 -59 1  15 o 2  1.68344      0.513391    268.419   -28.3378     ?         ?            ?         ?            
1 1 1 -59 1  16 o 3  5.70319      0.708135    537.217   29.0256      ?         ?            ?         ?            
1 1 1 -59 1  17 o 17 1.91509      0.599465    254.297   -26.3951     ?         ?            ?         ?            
1 1 1 -59 1  18 o 3  2.86166      0.578881    619.682   -169.239     ?         ?            ?         ?            
1 1 1 -59 1  19 o 19 10.2606      0.748658    482.908   16.496       ?         ?            ?         ?            
1 1 1 -59 3  1  f 0  22.0092      1.19903     1103.85   -100.435     1367.67   -100.435     185.614   -100.435     
1 1 1 -59 3  2  o 2  25.451       1.41461     1343.62   47.4762      1366.93   47.4762      76.7551   47.4762      
1 1 1 -59 3  3  o 6  61.6875      2.15331     1489.97   -123.941     2848.93   -123.941     751.527   -123.941     
1 1 1 -59 3  4  o 9  2.219        0.601224    551.169   109.8        131.311   -70.1999     314.564   -70.1999     
1 1 1 -59 3  5  o 19 3.29855      0.610747    633.353   177.076      459.513   -2.92359     515.675   -2.92359     
1 1 1 -59 3  6  o 5  1.56739      0.502634    530.525   112.675      296.522   -67.3249     387.646   -67.3249     
1 1 1 -59 3  7  o 16 7.07811      0.748212    602.006   -114.575     589.823   -114.575     23.3287   -114.575     
1 1 1 -59 3  8  o 15 35.8468      1.63286     1705      -144.992     1695.42   -144.992     78.013    -144.992     
1 1 1 -59 3  9  o 15 1.48166      0.585756    173.667   -99.7837     ?         ?            ?         ?            
1 1 1 -59 3  10 o 13 10.775       0.987218    744.897   66.3466      929.474   66.3466      126.182   66.3466      
1 1 1 -59 3  11 o 6  4.41335      0.610781    99.6582   82.5802      177.4     82.5802      43.1433   82.5802      
1 1 1 -59 3  12 o 10 13.1624      0.854045    808.971   -80.1317     1136.58   -80.1317     197.09    -80.1317     
1 1 1 -59 3  13 o 2  7.46446      0.706201    963.894   -163.296     ?         ?            ?         ?            
1 1 1 -59 3  14 o 6  6.93187      0.818615    847.929   158.222      ?         ?            ?         ?            
1 1 1 -59 3  15 o 2  1.8479       0.581018    546.377   -70.3748     ?         ?            ?         ?            
1 1 1 -59 3  16 o 8  0.795425     0.564727    342.736   -44.0217     ?         ?            ?         ?            
1 1 1 -59 3  17 o 18 -0.308146    0.467301    151.821   -168.718     ?         ?            ?         ?            
1 1 1 -59 3  18 o 3  1.89833      0.49647     266.237   120.181      ?         ?            ?         ?            
1 1 1 -59 3  19 o 14 1.66825      0.568329    304.454   -4.99969     ?         ?            ?         ?            
1 1 1 -59 5  1  o 1  19.3979      1.24785     1046.8    -89.6499     1347.45   -89.6499     199.822   -89.6499     
1 1 1 -59 5  2  o 6  2.90335      0.672202    575.746   -19.5194     85.1443   160.481      302.965   160.481      
1 1 1 -59 5  3  o 14 4.66541      0.752093    535.499   19.6834      83.6307   19.6834      200.288   -160.317     
1 1 1 -59 5  4  o 18 4.32647      0.834127    156.253   114.817      51.7583   -65.1826     96.5335   -65.1826     
1 1 1 -59 5  5  o 11 18.9954      1.3035      888.385   -6.87603     1365.28   -6.87603     280.645   -6.87603     
1 1 1 -59 5  6  o 5  1.72202      0.676443    630.441   29.6717      487.492   -150.328     529.442   -150.328     
1 1 1 -59 5  7  o 18 7.53912      0.979933    505.993   118.503      743.282   118.503      141.78    118.503      
1 1 1 -59 5  8  o 10 20.22        1.16649     1130.68   -127.626     1352.91   -127.626     161.029   -127.626     
1 1 1 -59 5  9  o 7  3.14303      0.625247    926.999   -16.218      40.511    163.782      444.501   163.782      
1 1 1 -59 5  10 o 3  21.6733      1.24659     888.312   91.492       1629.34   91.492       407.076   91.492       
1 1 1 -59 5  11 f 0  2.6581       0.597607    236.931   169.919      206.769   169.919      5.06658   -10.0811     
1 1 1 -59 5  12 o 4  3.26115      0.620691    665.728   -78.6567     ?         ?            ?         ?            
1 1 1 -59 5  13 o 7  6.42889      0.687741    639.91    -165.364     ?         ?            ?         ?            
1 1 1 -59 5  14 o 10 2.10969      0.575984    291.586   148.002      ?         ?            ?         ?            
1 1 1 -59 5  15 f 0  0.283695     0.480799    157.964   -10.5442     ?         ?            ?         ?            
1 1 1 -59 5  16 o 12 0.794374     0.540498    144.457   17.4191      ?         ?            ?         ?            
1 1 1 -59 5  17 o 16 3.89349      0.60058     396.389   -110.551     ?         ?            ?         ?            
1 1 1 -59 5  18 o 11 3.10352      0.880552    343.873   -156.924     ?         ?            ?         ?            
1 1 1 -59 7  1  o 14 15.6474      1.09818     179.96    -78.614      1215.04   -78.614      524.946   -78.614      
1 1 1 -59 7  2  o 16 16.5428      1.1536      814.499   96.898       1357.09   96.898       304.805   96.898       
1 1 1 -59 7  3  o 2  6.44052      0.768167    457.765   -110.691     618.245   -110.691     99.0878   -110.691     
1 1 1 -59 7  4  o 15 2.93551      0.62411     133.559   48.8795      24.9853   -131.121     73.7755   -131.121     
1 1 1 -59 7  5  o 17 3.05353      0.651029    723.781   158.153      22.3348   158.153      320.954   -21.8468     
1 1 1 -59 7  6  o 8  5.84901      0.685476    684.28    128.803      523.952   128.803      51.8916   -51.1965     
1 1 1 -59 7  7  o 7  7.67438      0.797519    728.553   -151.972     657.367   -151.972     4.87449   28.0282      
1 1 1 -59 7  8  o 8  4.41692      0.672139    759.366   -23.5578     256.821   -23.5578     217.546   156.442      
1 1 1 -59 7  9  o 6  5.6243       0.706854    452.637   84.6817      639.785   84.6817      115.79    84.6817      
1 1 1 -59 7  10 o 9  3.10912      0.607464    325.721   72.91        323.097   72.91        17.311    72.91        
1 1 1 -59 7  11 o 10 3.25031      0.619618    537.656   -133.619     ?         ?            ?         ?            
1 1 1 -59 7  12 f 0  3.3126       0.640486    435.404   15.405       ?         ?            ?         ?            
1 1 1 -59 7  13 o 15 5.11564      0.686528    870.628   136.628      ?         ?            ?         ?            
1 1 1 -59 7  14 o 13 2.27827      0.630922    296.475   95.5038      ?         ?            ?         ?            
1 1 1 -59 7  15 o 4  0.868986     0.496041    402.019   -101.357     ?         ?            ?         ?            
1 1 1 -59 7  16 o 18 1.37744      0.643593    148.517   50.6681      ?         ?            ?         ?            
1 1 1 -59 9  1  o 19 0.231074     0.587139    291.615   109.619      139.942   -70.3811     194.374   -70.3811     
1 1 1 -59 9  2  f 0  2.85399      0.684109    398.281   18.8472      367.83    18.8472      12.8374   18.8472      
1 1 1 -59 9  3  o 6  4.04355      0.667633    408.767   155.856      522.664   155.856      85.2606   155.856      
1 1 1 -59 9  4  o 6  1.54284      0.545408    264.473   -41.1224     119.342   -41.1224     54.1074   138.878      
1 1 1 -59 9  5  o 9  1.29344      0.52922     417.291   147.742      98.7786   -32.2578     227.967   -32.2578     
1 1 1 -59 9  6  o 18 0.295974     0.521066    261.171   -52.8355     148.087   127.164      184.764   127.164      
1 1 1 -59 9  7  f 0  7.60074      0.928926    666.612   -17.5006     854.629   -17.5006     148.468   -17.5006     
1 1 1 -59 9  8  o 8  1.87329      0.543045    615.229   -69.7628     ?         ?            ?         ?            
1 1 1 -59 9  9  o 5  0.823407     0.514924    261.517   -40.0146     ?         ?            ?         ?            
1 1 1 -59 9  10 o 15 1.50799      0.586057    217.432   90.3682      ?         ?            ?         ?            
1 1 1 -59 9  11 o 5  1.16808      0.527057    318.335   -130.245     ?         ?            ?         ?            
1 1 1 -59 9  12 o 2  -0.105241    0.551103    84.0439   -46.1017     ?         ?            ?         ?            
1 1 1 -59 9  13 o 2  1.2295       0.981114    218.156   -134.882     ?         ?            ?         ?            
1 1 1 -59 9  14 o 1  3.48328      0.665748    516.024   -0.764829    ?         ?            ?         ?            
1 1 1 -59 11 1  o 13 2.86675      0.716401    197.77    -71.7681     415.844   -71.7681     131.323   -71.7681     
1 1 1 -59 11 2  o 12 1.69932      0.706452    107.46    -62.3212     146.686   -62.3212     31.5898   -62.3212     
1 1 1 -59 11 3  o 7  3.96782      0.7322      279.637   113.867      675.981   113.867      229.21    113.867      
1 1 1 -59 11 4  o 13 0.170595     0.563632    282.765   142.14       ?         ?            ?         ?            
1 1 1 -59 11 5  o 3  1.8438       0.57606     348.86    6.28728      ?         ?            ?         ?            
1 1 1 -59 11 6  o 15 2.41256      0.722769    543.264   -72.4467     ?         ?            ?         ?            
1 1 1 -59 11 7  o 13 0.907942     0.614159    102.126   118.866      ?         ?            ?         ?            
1 1 1 -59 11 8  o 13 0.945809     0.588121    203.397   22.4665      ?         ?            ?         ?            
1 1 1 -59 11 9  o 1  0.617937     0.534354    125.12    -105.738     ?         ?            ?         ?            
1 1 1 -58 0  1  o 8  2.87436      0.793729    241.792   0            ?         ?            ?         ?            
1 1 1 -58 0  2  o 10 2.2511       0.729102    1108.08   180          ?         ?            ?         ?            
1 1 1 -58 0  3  o 9  30.3773      1.82385     1266.38   0            1725.05   0            287.617   0            
1 1 1 -58 0  4  o 17 13.6414      1.30566     452.68    180          1124.63   180          356.824   180          
1 1 1 -58 0  5  o 16 5.19808      1.20891     823.511   0            169.473   0            288.962   180          
1 1 1 -58 0  6  o 14 32.3853      1.95276     1302.46   180          1831.62   180          325.234   180          
1 1 1 -58 0  7  o 2  13.408       1.11576     514.127   0            939.731   0            237.057   0            
1 1 1 -58 0  8  o 5  2.81881      0.718237    193.909   0            ?         ?            ?         ?            
1 1 1 -58 0  9  o 18 2.28943      0.76805     22.4983   180          2.20811   5.75115e-14  11.2573   5.64039e-15  
1 1 1 -58 0  10 o 13 11.5499      1.18741     976.243   180          950.934   180          34.9662   180          
1 1 1 -58 0  11 o 18 3.69758      0.771687    318.377   180          194.842   180          46.6332   3.63338e-14  
1 1 1 -58 0  12 o 8  0.275395     0.573569    151.743   180          ?         ?            ?         ?            
1 1 1 -58 0  13 o 1  17.5041      1.3601      950.529   0            1450.68   0            289.748   0            
1 1 1 -58 0  14 o 16 0.623325     0.655551    374.556   0            ?         ?            ?         ?            
1 1 1 -58 0  15 o 9  1.86549      1.02938     406.087   180          ?         ?            ?         ?            
1 1 1 -58 0  16 o 19 3.20371      1.2125      634.304   0            ?         ?            ?         ?            
1 1 1 -58 0  17 o 16 0.97398      0.662269    180.881   0            ?         ?            ?         ?            
1 1 1 -58 0  18 o 19 0.32708      0.645367    531.854   180          ?         ?            ?         ?            
1 1 1 -58 0  19 o 4  0.646331     0.799175    267.496   180          ?         ?            ?         ?            
1 1 1 -58 0  20 o 14 0.598564     0.683231    148.019   180          ?         ?            ?         ?            
1 1 1 -58 2  1  o 14 4.37803      0.607437    592.023   55.7574      104.748   -124.243     320.604   -124.243     
1 1 1 -58 2  2  o 9  9.68564      0.799639    307.454   -58.1059     591.418   -58.1059     156.319   -58.1059     
1 1 1 -58 2  3  o 6  35.6876      1.71558     1169.73   -1.06338     1992.21   -1.06338     465.661   -1.06338     
1 1 1 -58 2  4  o 5  5.59392      0.651246    674.692   -26.2492     279.097   -26.2492     166.367   153.751      
1 1 1 -58 2  5  o 4  11.0572      0.833626    835.418   58.1416      771.01    58.1416      6.9132    58.1416      
1 1 1 -58 2  6  o 4  11.6098      0.819351    1279.95   -73.5856     488.127   -73.5856     335.414   106.414      
1 1 1 -58 2  7  o 11 11.5194      0.966629    729.655   -59.2241     784.674   -59.2241     62.4554   -59.2241     
1 1 1 -58 2  8  o 7  29.4497      1.31598     1011.49   49.8902      1863.9    49.8902      475.312   49.8902      
1 1 1 -58 2  9  o 8  4.44322      0.582222    1114.41   165.376      113.824   -14.6242     559.651   -14.6242     
1 1 1 -58 2  10 o 10 0.926923     0.446706    178.778   -125.077     ?         ?            ?         ?            
1 1 1 -58 2  11 o 2  1.14594      0.449508    860.915   166.207      656.317   -13.7933     718.675   -13.7933     
1 1 1 -58 2  12 o 12 12.5977      1.00138     746.443   25.2565      1101.75   25.2565      210.034   25.2565      
1 1 1 -58 2  13 o 1  8.55182      0.903949    986.58    22.3404      587.582   22.3404      158.882   -157.66      
1 1 1 -58 2  14 o 7  1.28507      0.480129    596.214   -113.535     ?         ?            ?         ?            
1 1 1 -58 2  15 o 16 3.89063      0.564011    390.207   -101.914     ?         ?            ?         ?            
1 1 1 -58 2  16 o 14 0.899102     0.494686    199.348   51.2225      ?         ?            ?         ?            
1 1 1 -58 2  17 o 7  3.08524      0.580783    669.927   167.149      ?         ?            ?         ?            
1 1 1 -58 2  18 f 0  0.622342     0.514397    115.082   -58.8639     ?         ?            ?         ?            
1 1 1 -58 2  19 o 10 1.62829      0.548302    174.955   95.5701      ?         ?            ?         ?            
1 1 1 -58 4  1  o 16 55.4029      1.87502     1875.09   59.0358      2349.71   59.0358      328.708   59.0358      
1 1 1 -58 4  2  o 4  18.794       1.08005     581.057   -81.2365     1445.73   -81.2365     460.566   -81.2365     
1 1 1 -58 4  3  f 0  12.7185      0.908825    919.643   -66.7026     777.38    -66.7027     26.5176   113.297      
1 1 1 -58 4  4  o 19 35.1466      1.46797     1016.12   34.591       2085.42   34.591       583.991   34.591       
1 1 1 -58 4  5  o 7  3.56744      0.589819    368.367   -170.504     138.89    -170.504     96.8006   9.49595      
1 1 1 -58 4  6  o 8  0.573067     0.453456    391.618   -52.402      295.637   127.598      324.498   127.598      
1 1 1 -58 4  7  o 8  12.4861      0.896192    524.557   5.68878      1124.97   5.68878      325.819   5.68878      
1 1 1 -58 4  8  o 17 12.2542      1.00287     1293.24   40.7781      636.59    40.7781      265.795   -139.222     
1 1 1 -58 4  9  o 13 3.33431      0.905306    458.47    164.65       41.115    164.65       187.084   -15.3496     
1 1 1 -58 4  10 o 17 11.0083      1.00386     319.523   -49.2613     1048.96   -49.2613     379.074   -49.2613     
1 1 1 -58 4  11 o 6  2.97421      0.613188    464.868   87.61        171.059   87.61        127.209   -92.39       
1 1 1 -58 4  12 o 18 2.19724      0.605004    101.367   -33.6577     24.6066   -33.6577     34.2091   146.342      
1 1 1 -58 4  13 o 10 7.742        0.793647    835.878   -25.3064     ?         ?            ?         ?            
1 1 1 -58 4  14 f 0  4.48113      0.763007    673.427   -130.803     ?         ?            ?         ?            
1 1 1 -58 4  15 o 5  4.77726      0.680568    439.648   102.57       ?         ?            ?         ?            
1 1 1 -58 4  16 o 2  1.33801      0.511033    457.606   -11.7741     ?         ?            ?         ?            
1 1 1 -58 4  17 o 18 1.08487      0.519868    207.664   171.133      ?         ?            ?         ?            
1 1 1 -58 4  18 o 2  2.61459      0.558148    370.046   -161.429     ?         ?            ?         ?            
1 1 1 -58 4  19 o 2  0.353959     0.457099    53.2059   75.009       ?         ?            ?         ?            
1 1 1 -58 6  1  o 7  8.59523      0.934366    287.633   -164.67      751.45    -164.67      245.055   -164.67      
1 1 1 -58 6  2  f 0  30.4572      1.48243     871.043   -71.9037     2109.86   -71.9037     659.714   -71.9037     
1 1 1 -58 6  3  o 1  8.16671      0.922474    684.9     -176.953     574.574   -176.953     23.324    3.04681      
1 1 1 -58 6  4  o 14 7.81404      1.00571     994.077   -29.9847     421.843   -29.9847     240.024   150.015      
1 1 1 -58 6  5  o 3  9.72153      0.949252    471.493   -21.9745     956.352   -21.9745     264.072   -21.9745     
1 1 1 -58 6  6  o 1  13.0863      0.963681    648.872   -30.1017     1100.08   -30.1017     254.836   -30.1017     
1 1 1 -58 6  7  o 3  2.37877      0.568705    455.251   -0.0230798   160.424   179.977      287.892   179.977      
1 1 1 -58 6  8  o 5  7.69052      0.712226    743.528   158.986      631.305   158.986      24.6186   -21.0138     
1 1 1 -58 6  9  o 5  7.07912      0.711852    941.778   178.051      480.56    178.051      191.77    -1.94903     
1 1 1 -58 6  10 o 11 4.0601       0.66318     474.274   -70.9636     407.878   -70.9636     13.4444   109.036      
1 1 1 -58 6  11 o 4  11.3033      1.0512      470.305   -5.09474     1222.91   -5.09474     397.672   -5.09474     
1 1 1 -58 6  12 f 0  2.04662      0.560176    57.5098   -31.8466     ?         ?            ?         ?            
1 1 1 -58 6  13 o 10 1.51697      0.530426    186.421   58.7187      ?         ?            ?         ?            
1 1 1 -58 6  14 o 5  6.57586      0.690449    266.767   7.02274      ?         ?            ?         ?            
1 1 1 -58 6  15 o 13 0.664818     0.473591    305.163   160.841      ?         ?            ?         ?            
1 1 1 -58 6  16 o 18 1.23573      0.554639    375.085   -164.631     ?         ?            ?         ?            
1 1 1 -58 6  17 o 19 2.67944      0.668231    418.479   64.6053      ?         ?            ?         ?            
1 1 1 -58 8  1  o 5  14.1713      1.06438     801.737   3.21789      1170.45   3.21789      219.733   3.21789      
1 1 1 -58 8  2  f 0  10.5225      0.983013    859.608   66.4077      897.015   66.4077      55.8066   66.4077      
1 1 1 -58 8  3  o 14 0.940942     0.566271    286.447   -4.13363     128.449   175.866      195.176   175.866      
1 1 1 -58 8  4  o 17 4.68885      0.664452    383.018   -9.74462     435.938   -9.74462     42.9372   -9.74462     
1 1 1 -58 8  5  o 4  1.85714      0.583698    681.593   -21.0145     86.0949   158.985      354.006   158.985      
1 1 1 -58 8  6  o 12 8.14642      0.762974    1221.21   147.898      387.18    147.898      361.547   -32.1021     
1 1 1 -58 8  7  o 19 0.504255     0.546557    475.377   62.6645      247.018   -117.336     338.152   -117.336     
1 1 1 -58 8  8  o 8  0.610624     0.493687    718.273   117.007      ?         ?            ?         ?            
1 1 1 -58 8  9  o 2  5.87995      0.733231    147.509   3.58062      608.804   3.58062      239.727   3.58062      
1 1 1 -58 8  10 o 10 1.78012      0.535022    180.077   78.3027      ?         ?            ?         ?            
1 1 1 -58 8  11 o 3  10.8245      0.93305     398.176   -4.41874     ?         ?            ?         ?            
1 1 1 -58 8  12 o 14 3.2809       0.736663    384.214   166.558      ?         ?            ?         ?            
1 1 1 -58 8  13 o 14 6.20627      0.706563    540.379   25.7101      ?         ?            ?         ?            
1 1 1 -58 8  14 o 4  1.53086      0.513443    496.912   -155.567     ?         ?            ?         ?            
1 1 1 -58 8  15 o 2  1.83619      0.66586     256.294   158.566      ?         ?            ?         ?            
1 1 1 -58 8  16 o 13 1.36532      0.511369    288.018   11.7934      ?         ?            ?         ?            
1 1 1 -58 10 1  o 4  1.74786      0.637893    435.554   -35.3431     149.834   -35.3431     102.208   144.657      
1 1 1 -58 10 2  o 12 2.03663      0.617038    482.676   85.6203      195.81    85.6203      99.461    -94.3797     
1 1 1 -58 10 3  f 0  2.5656       0.575116    646.836   -97.6011     231.137   -97.6011     149.512   82.3989      
1 1 1 -58 10 4  o 4  1.40744      0.544577    444.858   112.255      85.9992   112.255      139.078   -67.7453     
1 1 1 -58 10 5  o 13 0.69661      0.549029    79.3817   147.934      23.6385   -32.0657     44.1598   -32.0657     
1 1 1 -58 10 6  o 7  4.67491      0.65466     260.596   176.646      724.976   176.646      257.106   176.646      
1 1 1 -58 10 7  o 17 2.07676      0.557053    412.561   169.914      ?         ?            ?         ?            
1 1 1 -58 10 8  o 13 1.02497      0.578463    303.925   54.5872      ?         ?            ?         ?            
1 1 1 -58 10 9  o 9  1.6608       0.745882    322.156   32.4954      ?         ?            ?         ?            
1 1 1 -58 10 10 o 15 1.73449      0.547042    225.873   34.5586      ?         ?            ?         ?            
1 1 1 -58 10 11 o 5  0.0195677    0.569029    51.3591   29.2177      ?         ?            ?         ?            
1 1 1 -58 10 12 o 1  0.364453     0.919219    295.505   97.5529      ?         ?            ?         ?            
1 1 1 -58 12 1  o 9  0.804162     0.630158    57.1359   91.7512      ?         ?            ?         ?            
1 1 1 -58 12 2  o 10 -0.00476418  0.52006     157.455   27.2319      ?         ?            ?         ?            
1 1 1 -58 12 3  o 10 2.06569      0.675527    421.999   -49.7949     ?         ?            ?         ?            
1 1 1 -58 12 4  o 13 0.870819     0.684481    277.371   102.488      ?         ?            ?         ?            
1 1 1 -58 12 5  o 1  0.506008     0.594856    155.391   -167.983     ?         ?            ?         ?            
1 1 1 -58 12 6  o 18 -0.0436075   0.56438     169.031   -54.0376     ?         ?            ?         ?            
1 1 1 -57 1  1  o 4  6.16014      0.682343    366.938   -139.541     216.453   -139.541     58.408    40.4591      
1 1 1 -57 1  2  o 5  12.0943      0.816231    806.223   -73.1854     732.907   -73.1854     0.326607  -73.1854     
1 1 1 -57 1  3  o 4  11.5436      0.87015     402.633   -133.888     761.817   -133.888     198.07    -133.888     
1 1 1 -57 1  4  o 17 33.9138      1.54919     1438.2    169.325      1758.58   169.325      226.171   169.325      
1 1 1 -57 1  5  o 15 17.1193      0.960484    538.728   -75.5237     1283.91   -75.5237     397.305   -75.5237     
1 1 1 -57 1  6  o 7  8.33791      0.806259    237.674   -105.079     359.943   -105.079     72.068    -105.079     
1 1 1 -57 1  7  o 8  26.8087      1.29902     1169.73   -84.082      1610.75   -84.082      274.812   -84.082      
1 1 1 -57 1  8  o 11 31.5812      1.27807     698.516   -98.0151     1805.83   -98.0151     586.632   -98.0151     
1 1 1 -57 1  9  f 0  3.10971      0.576643    641.231   168.552      12.7135   -11.4475     296.072   -11.4475     
1 1 1 -57 1  10 o 11 20.7111      1.04721     1078.21   -75.0985     1121.33   -75.0985     74.2284   -75.0985     
1 1 1 -57 1  11 f 0  2.81144      0.532227    318.365   -43.5816     94.687    -43.5816     96.4324   136.418      
1 1 1 -57 1  12 o 4  4.13683      0.557639    893.326   -161.189     137.667   -161.189     336.552   18.8108      
1 1 1 -57 1  13 o 2  3.16349      0.522812    626.686   -86.3753     157.772   -86.3754     207.612   93.6246      
1 1 1 -57 1  14 o 17 5.77291      0.724681    475.264   6.64826      641.056   6.64826      102.468   6.64826      
1 1 1 -57 1  15 o 8  4.79427      0.757992    525.57    117.58       ?         ?            ?         ?            
1 1 1 -57 1  16 o 9  4.97632      0.639348    175.306   -118.82      ?         ?            ?         ?            
1 1 1 -57 1  17 o 9  3.32089      0.59041     652.963   109.476      ?         ?            ?         ?            
1 1 1 -57 1  18 o 5  3.4882       0.708695    390.127   -8.6557      ?         ?            ?         ?            
1 1 1 -57 1  19 o 19 4.31347      0.609898    259.327   -158.72      ?         ?            ?         ?            
1 1 1 -57 1  20 o 19 1.47028      0.49003     41.3894   -46.5899     ?         ?            ?         ?            
1 1 1 -57 3  1  o 15 4.29479      0.632271    713.536   118.629      98.3552   118.629      274.205   -61.3706     
1 1 1 -57 3  2  o 3  9.19075      0.780742    1132.4    -101.381     404.113   -101.381     311.47    78.6186      
1 1 1 -57 3  3  o 15 16.8192      0.906009    782.872   122.278      1213.56   122.278      251.685   122.278      
1 1 1 -57 3  4  o 10 7.86789      0.661543    610.719   87.4888      129.545   -92.5112     341.741   -92.5112     
1 1 1 -57 3  5  o 13 25.6223      1.40405     929.078   -107.316     1553.62   -107.316     355.685   -107.316     
1 1 1 -57 3  6  o 8  12.7881      0.864336    1010.28   -58.7748     804.121   -58.7748     55.422    121.225      
1 1 1 -57 3  7  o 8  14.4673      1.00331     770.716   33.5479      1112.29   33.5479      207.638   33.5479      
1 1 1 -57 3  8  o 11 8.18355      0.759045    580.749   137.744      671.512   137.744      73.5516   137.744      
1 1 1 -57 3  9  o 15 1.56432      0.511155    306.384   -102.653     83.1417   77.3471      179.789   77.3471      
1 1 1 -57 3  10 o 8  10.899       0.787637    536.379   7.0241       1016.21   7.0241       265.852   7.0241       
1 1 1 -57 3  11 f 0  1.31138      0.538925    744.067   -36.6588     296.648   143.341      485.787   143.341      
1 1 1 -57 3  12 o 19 15.9744      1.18966     1081.68   155.771      1094.25   155.771      53.2715   155.771      
1 1 1 -57 3  13 o 8  11.9707      0.891181    496.204   59.5106      1226.82   59.5106      385.74    59.5106      
1 1 1 -57 3  14 o 3  18.4647      1.04647     840.563   6.01729      ?         ?            ?         ?            
1 1 1 -57 3  15 o 18 4.2743       0.605484    345.862   124.489      ?         ?            ?         ?            
1 1 1 -57 3  16 f 0  1.83117      0.588206    472.032   134.004      ?         ?            ?         ?            
1 1 1 -57 3  17 o 18 1.12787      0.578093    453.106   17.3726      ?         ?            ?         ?            
1 1 1 -57 3  18 o 15 2.29926      0.575784    475.041   -77.4553     ?         ?            ?         ?            
1 1 1 -57 3  19 o 5  2.35439      0.529315    536.679   -99.6772     ?         ?            ?         ?            
1 1 1 -57 5  1  o 3  4.89602      0.717379    727.988   32.4106      185.91    32.4106      235.46    -147.589     
1 1 1 -57 5  2  o 9  20.1402      1.10156     400.065   178.352      1538.48   178.352      588.746   178.352      
1 1 1 -57 5  3  o 16 30.7184      1.30719     1203.64   -5.10708     1722.58   -5.10708     318.21    -5.10708     
1 1 1 -57 5  4  o 15 2.82798      0.599239    424.387   142.641      127.533   -37.3589     255.239   -37.3589     
1 1 1 -57 5  5  o 7  5.3609       0.662573    820.322   -165.06      27.6097   -165.06      356.267   14.9398      
1 1 1 -57 5  6  o 19 43.6008      1.66362     1327.68   -164.615     2332.6    -164.615     567.289   -164.615     
1 1 1 -57 5  7  o 18 9.49411      0.90203     493.635   26.6289      864.728   26.6289      209.488   26.6289      
1 1 1 -57 5  8  o 14 0.0890949    0.670461    72.4865   117.626      58.6987   -62.3744     62.1407   -62.3744     
1 1 1 -57 5  9  o 14 5.94986      0.842003    645.08    160.286      477.039   160.286      54.3709   -19.7139     
1 1 1 -57 5  10 o 13 6.3569       0.787243    601.828   -104.684     284.719   -104.684     132.3     75.316       
1 1 1 -57 5  11 o 11 16.3702      1.08975     518.099   68.5211      1528.31   68.5211      526.607   68.5211      
1 1 1 -57 5  12 o 2  1.10156      0.531499    365.073   127.214      304.809   -52.7857     319.71    -52.7857     
1 1 1 -57 5  13 o 15 5.80489      0.717282    279.938   2.76938      ?         ?            ?         ?            
1 1 1 -57 5  14 o 6  0.149353     0.492326    258.696   -39.9592     ?         ?            ?         ?            
1 1 1 -57 5  15 o 10 1.1782       0.472693    84.358    -59.5325     ?         ?            ?         ?            
1 1 1 -57 5  16 o 13 1.17095      0.476046    428.421   119.136      ?         ?            ?         ?            
1 1 1 -57 5  17 o 4  1.01431      0.484692    341.466   121.913      ?         ?            ?         ?            
1 1 1 -57 5  18 o 5  3.57588      0.664399    301.611   -64.8941     ?         ?            ?         ?            
1 1 1 -57 7  1  o 13 17.3247      1.08158     690.626   -153.929     1475.26   -153.929     422.149   -153.929     
1 1 1 -57 7  2  o 17 1.00128      0.55122     552.676   -58.328      356.505   121.672      430.407   121.672      
1 1 1 -57 7  3  o 12 6.17554      0.818259    302.176   45.5279      570.477   45.5279      147.437   45.5279      
1 1 1 -57 7  4  f 0  1.76337      0.619428    228.631   155.064      16.7436   -24.9355     112.669   -24.9355     
1 1 1 -57 7  5  o 15 15.215       1.14274     938.173   17.2283      1136.48   17.2283      139.789   17.2283      
1 1 1 -57 7  6  o 4  17.8154      1.06837     1110.47   -52.9314     1215.4    -52.9314     99.6833   -52.9314     
1 1 1 -57 7  7  o 2  6.65741      0.699484    515.331   -50.7662     678.319   -50.7662     102.949   -50.7662     
1 1 1 -57 7  8  o 10 2.32522      0.545827    340.6     -49.6376     148.951   -49.6376     81.8159   130.362      
1 1 1 -57 7  9  o 1  1.42229      0.536879    225.516   147.737      128.787   -32.2634     167.696   -32.2634     
1 1 1 -57 7  10 o 18 6.66888      0.788924    605.084   -44.3903     707.953   -44.3903     78.9432   -44.3903     
1 1 1 -57 7  11 o 15 0.155186     0.555667    290.395   -47.8574     ?         ?            ?         ?            
1 1 1 -57 7  12 o 2  3.20569      0.633515    350.071   112.925      ?         ?            ?         ?            
1 1 1 -57 7  13 o 3  6.0835       0.665952    575.728   -75.5854     ?         ?            ?         ?            
1 1 1 -57 7  14 o 2  1.4957       0.550541    328.455   124.13       ?         ?            ?         ?            
1 1 1 -57 7  15 o 6  1.84948      0.527199    341.468   72.5275      ?         ?            ?         ?            
1 1 1 -57 7  16 o 16 0.723706     0.588348    53.0741   170.955      ?         ?            ?         ?            
1 1 1 -57 7  17 o 13 4.05194      0.711361    203.43    -52.1383     ?         ?            ?         ?            
1 1 1 -57 9  1  o 16 1.57828      0.693716    199.54    115.917      25.6568   115.917      75.911    -64.0826     
1 1 1 -57 9  2  o 14 12.9012      0.91727     875.055   -113.655     1113.34   -113.655     165.639   -113.655     
1 1 1 -57 9  3  o 1  9.72536      0.826436    525.213   101.475      1046.42   101.475      288.116   101.475      
1 1 1 -57 9  4  o 2  1.7995       0.550091    198.457   -46.4777     123.082   -46.4777     27.1861   133.522      
1 1 1 -57 9  5  o 9  2.79067      0.598047    415.739   28.8145      306.052   28.8145      32.0581   -151.186     
1 1 1 -57 9  6  o 18 0.916388     0.500603    425.134   -61.5174     131.503   118.483      253.533   118.483      
1 1 1 -57 9  7  o 8  15.0095      1.14585     832.732   157.149      1323.6    157.149      298.487   157.149      
1 1 1 -57 9  8  o 8  2.59464      0.57619     318.32    -116.217     349.477   -116.217     38.2481   -116.217     
1 1 1 -57 9  9  o 17 2.46047      0.567387    298.303   169.596      ?         ?            ?         ?            
1 1 1 -57 9  10 o 15 1.99107      0.662367    182.472   -89.3946     ?         ?            ?         ?            
1 1 1 -57 9  11 o 4  0.392058     0.519425    381.137   77.8092      ?         ?            ?         ?            
1 1 1 -57 9  12 o 1  0.576577     0.546341    367.323   -24.358      ?         ?            ?         ?            
1 1 1 -57 9  13 o 14 2.8368       0.650905    341.709   119.312      ?         ?            ?         ?            
1 1 1 -57 9  14 o 17 0.963884     0.877865    213.62    25.5481      ?         ?            ?         ?            
1 1 1 -57 9  15 o 16 -0.258069    0.54435     112.225   -102.16      ?         ?            ?         ?            
1 1 1 -57 11 1  o 9  1.93174      0.620823    174.68    36.8489      126.24    36.8489      5.66475   -143.151     
1 1 1 -57 11 2  o 15 0.468845     0.688912    75.7017   12.2683      24.528    -167.732     42.141    -167.732     
1 1 1 -57 11 3  o 8  1.38956      0.587372    404.304   75.4414      131.472   75.4414      93.9711   -104.559     
1 1 1 -57 11 4  o 17 2.17248      0.579355    546.979   -68.4699     237.539   -68.4699     97.1604   111.53       
1 1 1 -57 11 5  o 18 2.38846      0.597724    203.248   129.693      379.157   129.693      109.507   129.693      
1 1 1 -57 11 6  o 14 1.21308      0.558468    258.92    125.71       ?         ?            ?         ?            
1 1 1 -57 11 7  o 16 0.909779     0.522357    413.189   -112.654     ?         ?            ?         ?            
1 1 1 -57 11 8  o 4  1.10508      0.612889    216.007   -125.318     ?         ?            ?         ?            
1 1 1 -57 11 9  o 15 0.951452     0.59388     223.91    -101.021     ?         ?            ?         ?            
1 1 1 -57 11 10 o 16 2.62241      0.712061    329.833   -124.32      ?         ?            ?         ?            
1 1 1 -57 11 11 o 13 0.522284     0.834892    145.896   44.5118      ?         ?            ?         ?            
1 1 1 -56 0  1  o 7  1.15779      0.659476    57.2647   0            ?         ?            ?         ?            
1 1 1 -56 0  2  o 17 101.709      7.22355     2683.5    0            2842.43   0            205.136   0            
1 1 1 -56 0  3  o 10 99.4455      3.8856      1674.5    180          4037.99   180          1260.43   180          
1 1 1 -56 0  4  o 8  83.2265      3.37096     2223.27   0            2964.83   0            474.941   0            
1 1 1 -56 0  5  o 6  4.9122       0.891938    355.545   180          95.221    1.67481e-14  208.862   3.81776e-15  
1 1 1 -56 0  6  o 8  3.30576      0.95045     225.935   180          62.1831   1.61299e-14  133.656   3.7522e-15   
1 1 1 -56 0  7  o 7  1.60563      0.729392    214.1     0            ?         ?            ?         ?            
1 1 1 -56 0  8  o 7  24.3134      1.49636     1026.15   180          1703.09   180          385.878   180          
1 1 1 -56 0  9  o 2  22.2776      1.46406     1466.51   0            1297.13   0            15.6084   180          
1 1 1 -56 0  10 f 0  0.470768     0.541543    121.361   180          ?         ?            ?         ?            
1 1 1 -56 0  11 o 16 12.9723      1.22466     544.96    180          1335.05   180          421.678   180          
1 1 1 -56 0  12 o 2  29.1868      1.84251     798.798   180          2274.58   180          776.138   180          
1 1 1 -56 0  13 o 9  2.22202      0.673819    875.398   180          262.847   1.4254e-14   529.825   3.53571e-15  
1 1 1 -56 0  14 o 16 45.0628      2.40843     1428.32   180          2420.17   180          555.298   180          
1 1 1 -56 0  15 o 13 5.90251      0.873249    411.263   0            ?         ?            ?         ?            
1 1 1 -56 0  16 o 12 5.5191       1.0703      528.371   180          ?         ?            ?         ?            
1 1 1 -56 0  17 o 5  1.92254      1.04699     119.889   0            ?         ?            ?         ?            
1 1 1 -56 0  18 o 13 6.35512      0.934509    95.4972   0            ?         ?            ?         ?            
1 1 1 -56 0  19 o 2  9.81995      1.04191     458.47    0            ?         ?            ?         ?            
1 1 1 -56 0  20 o 4  -0.455131    0.560034    85.7357   0            ?         ?            ?         ?            
1 1 1 -56 2  1  o 14 23.073       1.06889     768.066   -36.5546     1360.86   -36.5546     331.663   -36.5546     
1 1 1 -56 2  2  o 15 1.86359      0.506064    412.848   75.7908      190.444   -104.209     282.634   -104.209     
1 1 1 -56 2  3  o 8  7.65985      0.732507    466.836   79.6707      331.006   79.6707      46.3839   -100.329     
1 1 1 -56 2  4  o 16 21.1532      1.01329     1115.68   -103.74      1184.74   -103.74      85.9159   -103.74      
1 1 1 -56 2  5  o 3  4.85333      0.604498    728.867   114.486      ?         ?            ?         ?            
1 1 1 -56 2  6  o 10 7.34989      0.713134    193.745   135.558      209.639   135.558      16.8348   135.558      
1 1 1 -56 2  7  o 16 7.64776      0.780751    750.548   104.893      378.426   104.893      151.446   -75.1074     
1 1 1 -56 2  8  o 1  3.13302      0.507144    222.794   -150.419     127.565   29.5814      164.753   29.5814      
1 1 1 -56 2  9  o 17 24.4509      1.25069     1453.72   -37.3195     1269.95   -37.3195     22.3635   142.68       
1 1 1 -56 2  10 o 19 2.64389      0.51945     359.25    -36.2123     ?         ?            ?         ?            
1 1 1 -56 2  11 o 3  18.7777      1.00172     572.184   -32.2655     1553.1    -32.2655     518.301   -32.2655     
1 1 1 -56 2  12 o 7  10.4766      0.751876    880.937   -95.8329     820.601   -95.8329     11.1017   -95.8329     
1 1 1 -56 2  13 o 3  22.3189      1.43188     927.741   -94.1726     1610.46   -94.1726     381.709   -94.1726     
1 1 1 -56 2  14 o 10 2.81005      0.673949    491.021   129.506      193.499   129.506      128.564   -50.4935     
1 1 1 -56 2  15 o 19 22.321       1.07578     773.296   173.371      ?         ?            ?         ?            
1 1 1 -56 2  16 o 10 2.14154      0.508809    241.181   160.018      ?         ?            ?         ?            
1 1 1 -56 2  17 o 2  1.76334      0.506127    446.467   -60.4983     ?         ?            ?         ?            
1 1 1 -56 2  18 o 4  2.72338      0.523918    286.688   74.179       ?         ?            ?         ?            
1 1 1 -56 2  19 o 19 3.05508      0.595195    233.457   -67.744      ?         ?            ?         ?            
1 1 1 -56 2  20 o 11 3.32006      0.591833    151.858   -93.6826     ?         ?            ?         ?            
1 1 1 -56 4  1  o 6  2.97174      0.530962    812.892   -81.1456     ?         ?            ?         ?            
1 1 1 -56 4  2  o 6  6.50636      0.663609    577.999   84.4116      311.73    84.4116      106.119   -95.5884     
1 1 1 -56 4  3  o 14 23.8209      1.25809     1160.78   168.659      1397.33   168.659      172.419   168.659      
1 1 1 -56 4  4  o 14 4.46591      0.627599    683.39    -75.9685     129.534   -75.9685     244.994   104.032      
1 1 1 -56 4  5  o 12 19.3478      1.09043     920.021   -46.0506     1359.03   -46.0506     262.743   -46.0506     
1 1 1 -56 4  6  o 6  24.9544      1.24481     1234.44   60.5951      1389.32   60.5951      136.03    60.5951      
1 1 1 -56 4  7  o 1  33.8501      1.4671      1081.02   -147.261     2052.91   -147.261     537.934   -147.261     
1 1 1 -56 4  8  o 7  3.80263      0.583072    730.951   -82.8736     82.2337   -82.8736     288.773   97.1264      
1 1 1 -56 4  9  o 9  22.8346      1.56693     1160.75   -50.105      1445.44   -50.105      199.041   -50.105      
1 1 1 -56 4  10 o 2  4.22186      0.779288    543.771   -179.432     241.587   -179.432     124.979   0.567536     
1 1 1 -56 4  11 o 12 0.708413     0.547759    203.084   122.998      124.119   -57.0016     154.29    -57.0016     
1 1 1 -56 4  12 o 18 11.8583      0.877052    867.671   -20.6665     964.794   -20.6665     85.7038   -20.6665     
1 1 1 -56 4  13 o 5  12.457       0.822698    697.132   -175.675     1113.2    -175.675     236.709   -175.675     
1 1 1 -56 4  14 o 13 6.0752       0.744488    508.151   72.157       ?         ?            ?         ?            
1 1 1 -56 4  15 o 2  6.37737      0.758197    224.42    -93.041      ?         ?            ?         ?            
1 1 1 -56 4  16 o 11 -0.465105    0.462536    289.605   -106.205     ?         ?            ?         ?            
1 1 1 -56 4  17 o 11 2.41255      0.566121    126.362   127.676      ?         ?            ?         ?            
1 1 1 -56 4  18 o 6  0.552082     0.452069    709.771   69.0972      ?         ?            ?         ?            
1 1 1 -56 4  19 o 8  0.545875     0.398379    36.6309   -19.9273     ?         ?            ?         ?            
1 1 1 -56 6  1  o 19 16.2923      1.07219     1072.04   86.7521      1068.58   86.7521      50.3261   86.7521      
1 1 1 -56 6  2  o 10 21.1063      1.22656     1374.3    116.976      1132.49   116.976      53.9441   -63.0241     
1 1 1 -56 6  3  o 17 15.8323      1.09285     741.108   -53.7576     1277.62   -53.7576     304.398   -53.7576     
1 1 1 -56 6  4  o 19 7.47251      0.769173    874.914   64.7694      267.837   64.7694      260.904   -115.231     
1 1 1 -56 6  5  o 12 2.0659       0.569798    127.547   118.679      8.96572   -61.3212     62.0612   -61.3212     
1 1 1 -56 6  6  o 11 3.29084      0.728622    904.204   108.239      34.18     -71.761      425.632   -71.761      
1 1 1 -56 6  7  o 8  12.0893      1.13818     690.718   -117.068     1027.63   -117.068     201.168   -117.068     
1 1 1 -56 6  8  o 10 2.17612      0.867213    630.728   -7.60326     225.125   172.397      398.947   172.397      
1 1 1 -56 6  9  o 3  4.1238       0.766577    492.539   -105.087     357.137   -105.087     46.0541   74.9134      
1 1 1 -56 6  10 o 12 5.08119      0.711069    631.052   57.1685      444.326   57.1685      66.9286   -122.832     
1 1 1 -56 6  11 o 12 8.09437      0.726968    423.354   172.646      875.219   172.646      243.379   172.646      
1 1 1 -56 6  12 o 2  6.96589      0.729521    274.585   -21.3861     806.378   -21.3861     278.089   -21.3861     
1 1 1 -56 6  13 o 4  10.4661      0.871974    582.798   131.802      ?         ?            ?         ?            
1 1 1 -56 6  14 o 1  1.4012       0.500575    280.536   6.51691      ?         ?            ?         ?            
1 1 1 -56 6  15 o 7  0.565943     0.447773    214.331   -61.6847     ?         ?            ?         ?            
1 1 1 -56 6  16 o 5  2.98516      0.633075    487.033   41.793       ?         ?            ?         ?            
1 1 1 -56 6  17 o 8  1.91763      0.526169    284.906   -123.168     ?         ?            ?         ?            
1 1 1 -56 6  18 o 12 0.193958     0.548287    66.8131   133.631      ?         ?            ?         ?            
1 1 1 -56 8  1  o 17 38.7647      1.55317     1112.22   -142.756     2291.6    -142.756     635.474   -142.756     
1 1 1 -56 8  2  o 1  4.29372      0.760075    492.113   153.41       333.183   153.41       59.1345   -26.5898     
1 1 1 -56 8  3  o 9  3.27307      0.788788    500.621   -173.58      244.361   -173.58      107.41    6.4197       
1 1 1 -56 8  4  o 14 0.960784     0.60682     147.681   -26.4041     76.1006   153.596      105.789   153.596      
1 1 1 -56 8  5  o 1  0.754342     0.539918    298.19    -96.6295     143.32    83.3705      208.478   83.3705      
1 1 1 -56 8  6  o 15 15.7763      0.965801    545.552   28.6607      1472.66   28.6607      486.011   28.6607      
1 1 1 -56 8  7  o 13 0.481147     0.484854    455.371   -98.5517     264.389   81.4483      340.868   81.4483      
1 1 1 -56 8  8  o 13 1.7745       0.531558    273.481   -65.9259     75.9954   -65.9259     86.7913   114.074      
1 1 1 -56 8  9  f 0  3.70753      0.650142    314.555   -169.283     420.806   -169.283     68.2524   -169.283     
1 1 1 -56 8  10 o 12 5.59339      0.86856     305.408   -127.09      566.098   -127.09      147.457   -127.09      
1 1 1 -56 8  11 o 16 2.06274      0.641102    282.094   -32.4028     ?         ?            ?         ?            
1 1 1 -56 8  12 o 4  7.0118       0.80106     318.115   -156.814     ?         ?            ?         ?            
1 1 1 -56 8  13 o 17 4.75752      0.724025    688.865   -129.36      ?         ?            ?         ?            
1 1 1 -56 8  14 o 2  0.737764     0.527507    240.868   -9.7279      ?         ?            ?         ?            
1 1 1 -56 8  15 o 15 3.10515      0.684503    365.579   36.1388      ?         ?            ?         ?            
1 1 1 -56 8  16 o 2  0.0747998    0.509998    342.817   -66.742      ?         ?            ?         ?            
1 1 1 -56 10 1  o 9  1.97269      0.683556    364.199   -152.95      187.288   -152.95      60.7287   27.0503      
1 1 1 -56 10 2  o 8  0.726594     0.5105      533.96    55.7149      240.355   -124.285     347.925   -124.285     
1 1 1 -56 10 3  o 7  0.998139     0.501934    207.083   114.584      62.9839   -65.4161     120.009   -65.4161     
1 1 1 -56 10 4  o 10 0.672673     0.511146    267.158   -149.57      142.777   30.4303      185.367   30.4303      
1 1 1 -56 10 5  o 15 0.222612     0.477998    132.014   149.848      83.1439   -30.1522     97.5568   -30.1522     
1 1 1 -56 10 6  o 18 7.34987      0.740487    839.774   33.0502      691.17    33.0502      6.99576   -146.95      
1 1 1 -56 10 7  o 5  12.8873      0.944745    1051.94   -32.7857     1049.7    -32.7857     89.1734   -32.7857     
1 1 1 -56 10 8  o 6  1.27182      0.610045    175.353   156.378      ?         ?            ?         ?            
1 1 1 -56 10 9  o 4  2.37162      0.824109    316.156   -171.073     ?         ?            ?         ?            
1 1 1 -56 10 10 o 8  1.49255      0.676005    181.766   -29.4698     ?         ?            ?         ?            
1 1 1 -56 10 11 o 19 1.63133      0.622684    437.387   -113.41      ?         ?            ?         ?            
1 1 1 -56 10 12 o 9  1.25444      0.694829    390.635   88.3016      ?         ?            ?         ?            
1 1 1 -56 10 13 o 6  -0.140112    0.683506    140.33    -135.869     ?         ?            ?         ?            
1 1 1 -56 12 1  f 0  -0.264744    0.502385    148.891   98.4489      62.7399   -81.5511     88.2895   -81.5511     
1 1 1 -56 12 2  o 2  2.57891      0.608029    119.014   136.147      380.331   136.147      144.48    136.147      
1 1 1 -56 12 3  o 7  1.59911      0.671749    370.303   151.376      ?         ?            ?         ?            
1 1 1 -56 12 4  o 11 0.645607     0.537374    175.835   -62.768      ?         ?            ?         ?            
1 1 1 -56 12 5  o 1  2.28058      0.61435     188.09    15.3678      ?         ?            ?         ?            
1 1 1 -56 12 6  o 1  -0.136391    0.540655    265.103   77.3126      ?         ?            ?         ?            
1 1 1 -56 12 7  o 17 0.178328     0.542558    185.727   -87.5179     ?         ?            ?         ?            
1 1 1 -56 12 8  o 1  0.381545     0.507271    219.762   157.068      ?         ?            ?         ?            
1 1 1 -55 1  1  o 16 5.6146       0.63704     330.726   -93.8738     99.8493   -93.8738     99.6077   86.1262      
1 1 1 -55 1  2  o 19 60.3743      2.0241      1799.99   126.964      2521.59   126.964      448.215   126.964      
1 1 1 -55 1  3  o 13 73.5287      2.23533     2342.73   -16.4956     2428.3    -16.4956     157.146   -16.4956     
1 1 1 -55 1  4  o 17 24.9808      1.7369      949.314   28.0474      1578.01   28.0474      360.427   28.0474      
1 1 1 -55 1  5  o 18 7.0668       0.628986    512.692   -128.684     332.619   -128.684     65.5164   51.3164      
1 1 1 -55 1  6  o 12 6.31591      0.669779    425.15    9.00052      210.175   9.00052      87.5475   -170.999     
1 1 1 -55 1  7  o 18 4.67855      0.593038    612.419   138.771      119.933   138.771      217.997   -41.2293     
1 1 1 -55 1  8  f 0  30.7894      1.54501     1419.9    45.8829      1501.05   45.8829      105.713   45.8829      
1 1 1 -55 1  9  o 1  8.94794      0.725381    598.086   92.2324      627.412   92.2324      42.4213   92.2324      
1 1 1 -55 1  10 o 6  18.0176      1.03909     548.712   7.36681      1398.12   7.36681      450.818   7.36681      
1 1 1 -55 1  11 o 14 5.29185      0.593965    130.805   93.8549      147.673   93.8549      14.805    93.8549      
1 1 1 -55 1  12 o 19 23.9832      1.3871      1180.89   11.5239      1496.74   11.5239      215.27    11.5239      
1 1 1 -55 1  13 o 4  21.2595      1.07453     1162.16   142.409      1375.79   142.409      160.538   142.409      
1 1 1 -55 1  14 o 9  6.02766      0.6141      418.488   -153.537     485.797   -153.537     51.4423   -153.537     
1 1 1 -55 1  15 o 15 2.49392      0.557253    652.755   -18.1593     ?         ?            ?         ?            
1 1 1 -55 1  16 o 12 5.56422      0.719562    228.402   167.444      ?         ?            ?         ?            
1 1 1 -55 1  17 o 17 4.20511      0.567932    378.222   -103.501     ?         ?            ?         ?            
1 1 1 -55 1  18 o 6  1.17754      0.529602    55.5193   -34.7705     ?         ?            ?         ?            
1 1 1 -55 1  19 o 2  2.95734      0.665054    392.759   151.983      ?         ?            ?         ?            
1 1 1 -55 1  20 o 5  1.39046      0.486316    324.303   134.661      ?         ?            ?         ?            
1 1 1 -55 3  1  o 17 13.158       0.906594    785.1     168.608      838.678   168.608      62.8677   168.608      
1 1 1 -55 3  2  o 6  18.41        1.10383     879.835   77.8191      1181.45   77.8191      191.383   77.8191      
1 1 1 -55 3  3  o 4  53.9137      1.98677     1686.99   -45.5791     2376.64   -45.5791     422.748   -45.5791     
1 1 1 -55 3  4  o 10 5.03464      0.670985    229.615   -29.2304     68.2767   150.77       138.358   150.77       
1 1 1 -55 3  5  o 6  23.846       1.34838     1577.63   108.602      988.292   108.602      222.182   -71.398      
1 1 1 -55 3  6  o 1  20.179       1.08268     1197.94   -173.282     1023.05   -173.282     32.4959   6.71777      
1 1 1 -55 3  7  o 8  15.0074      0.959846    915.483   -166.656     1046.81   -166.656     107.862   -166.656     
1 1 1 -55 3  8  o 16 10.1709      0.825559    483.798   -22.9542     762.744   -22.9542     162.099   -22.9542     
1 1 1 -55 3  9  o 15 43.8226      1.9427      1525.71   121.702      2138.23   121.702      379.196   121.702      
1 1 1 -55 3  10 o 19 15.9985      1.04464     971.625   -93.064      1100.93   -93.064      111.99    -93.064      
1 1 1 -55 3  11 o 6  3.31946      0.553558    210.338   -155.104     73.6543   -155.104     58.1057   24.8957      
1 1 1 -55 3  12 o 17 3.98531      0.628694    272.474   39.268       257.86    39.268       5.45438   39.268       
1 1 1 -55 3  13 o 7  10.6802      0.986428    29.4658   -43.1057     137.15    -43.1057     55.1227   -43.1057     
1 1 1 -55 3  14 o 18 3.18743      0.549564    268.081   -46.5957     264.889   -46.5957     9.43049   -46.5957     
1 1 1 -55 3  15 o 14 6.63727      0.683352    597.434   -3.41899     ?         ?            ?         ?            
1 1 1 -55 3  16 o 6  10.8728      0.878179    800.616   -120.274     ?         ?            ?         ?            
1 1 1 -55 3  17 o 18 0.0685636    0.460927    117.929   148.994      ?         ?            ?         ?            
1 1 1 -55 3  18 o 3  0.82227      0.511666    287.599   144.277      ?         ?            ?         ?            
1 1 1 -55 3  19 o 14 2.25836      0.539905    608.158   90.8766      ?         ?            ?         ?            
1 1 1 -55 3  20 o 13 4.69508      0.610485    292.069   120.934      ?         ?            ?         ?            
1 1 1 -55 5  1  o 19 12.1483      0.946279    1221.96   -152.318     538.344   -152.318     283.595   27.6823      
1 1 1 -55 5  2  f 0  7.30721      0.692842    670.363   28.2709      259.396   28.2709      173.735   -151.729     
1 1 1 -55 5  3  o 10 26.2273      1.1748      1442.31   173.927      1388.04   173.927      41.0427   173.927      
1 1 1 -55 5  4  o 9  17.8523      0.98175     1078.22   -119.083     964.147   -119.083     5.96052   60.9167      
1 1 1 -55 5  5  o 18 3.96839      0.601057    634.23    100.528      11.2376   -79.4719     292.508   -79.4719     
1 1 1 -55 5  6  o 7  15.251       0.95258     689.034   152.53       1205.11   152.53       291.185   152.53       
1 1 1 -55 5  7  o 5  40.2536      1.77671     1209.58   66.2212      2256.16   66.2212      582.068   66.2212      
1 1 1 -55 5  8  o 6  3.03408      0.605927    748.425   128.178      27.3614   -51.8217     351.316   -51.8217     
1 1 1 -55 5  9  o 8  27.9056      1.64082     885.173   46.0529      1919.77   46.0529      560.242   46.0529      
1 1 1 -55 5  10 o 4  1.52171      0.663262    393.412   -56.0032     234.69    123.997      295.537   123.997      
1 1 1 -55 5  11 o 9  7.72158      0.811523    739.561   -103.255     656.501   -103.255     8.65128   76.7445      
1 1 1 -55 5  12 o 1  12.0823      0.901884    885.857   51.8828      954.741   51.8828      71.4104   51.8828      
1 1 1 -55 5  13 o 10 8.81664      0.797344    625.144   -24.7629     881.302   -24.7629     154.15    -24.7629     
1 1 1 -55 5  14 o 12 10.0698      0.879939    566.659   -75.4318     ?         ?            ?         ?            
1 1 1 -55 5  15 o 2  2.10243      0.49408     134.005   10.4888      ?         ?            ?         ?            
1 1 1 -55 5  16 o 19 1.64865      0.484596    212.355   -104.435     ?         ?            ?         ?            
1 1 1 -55 5  17 o 6  11.4592      0.820886    465.596   8.31925      ?         ?            ?         ?            
1 1 1 -55 5  18 o 13 1.11189      0.539705    43.1195   -170.322     ?         ?            ?         ?            
1 1 1 -55 5  19 o 15 1.50502      0.481408    313.39    105.186      ?         ?            ?         ?            
1 1 1 -55 7  1  o 17 2.81378      0.645845    905.461   38.0232      151.164   -141.977     485.766   -141.977     
1 1 1 -55 7  2  o 10 10.9985      0.957738    712.017   -128.906     893.021   -128.906     124.26    -128.906     
1 1 1 -55 7  3  o 5  14.6554      1.04259     854.404   128.312      1143.31   128.312      185.068   128.312      
1 1 1 -55 7  4  o 3  12.134       0.890781    880.763   -163.405     762.141   -163.405     17.5636   16.5955      
1 1 1 -55 7  5  o 14 16.0862      1.06292     874.634   66.4942      1222.53   66.4942      215.02    66.4942      
1 1 1 -55 7  6  o 6  39.815       2.15585     1285.05   -118.22      2187.81   -118.22      510.677   -118.22      
1 1 1 -55 7  7  o 7  5.29371      0.778106    894.48    90.8977      246.444   90.8977      283.874   -89.1023     
1 1 1 -55 7  8  o 12 19.6269      1.2302      766.937   133.841      1522.79   133.841      411.086   133.841      
1 1 1 -55 7  9  o 12 18.6792      1.22971     1047.93   0.200521     1293.3    0.200521     166.332   0.200521     
1 1 1 -55 7  10 f 0  0.336623     0.523587    733.301   146.957      ?         ?            ?         ?            
1 1 1 -55 7  11 o 13 5.64766      0.761926    692.789   144.732      514.488   144.732      58.7627   -35.2684     
1 1 1 -55 7  12 o 17 2.25045      0.645327    243.216   -146.574     212.009   -146.574     2.9995    33.4258      
1 1 1 -55 7  13 o 18 3.11006      0.647897    555.57    1.60252      ?         ?            ?         ?            
1 1 1 -55 7  14 o 18 1.92309      0.539483    163.101   -134.48      ?         ?            ?         ?            
1 1 1 -55 7  15 o 16 11.1058      0.813362    645.602   -72.3874     ?         ?            ?         ?            
1 1 1 -55 7  16 o 18 1.00188      0.485215    137.441   -89.2587     ?         ?            ?         ?            
1 1 1 -55 7  17 f 0  2.15912      0.654369    207.44    127.695      ?         ?            ?         ?            
1 1 1 -55 7  18 o 6  2.62683      0.505945    189.711   -158.345     ?         ?            ?         ?            
1 1 1 -55 9  1  o 8  1.97557      0.64384     413.206   -4.28205     103.074   -4.28205     136.845   175.718      
1 1 1 -55 9  2  o 4  5.12777      0.778676    545.462   141.88       524.064   141.88       12.8781   141.88       
1 1 1 -55 9  3  o 14 3.69219      0.73083     492.421   -12.1348     386.501   -12.1348     31.7977   167.865      
1 1 1 -55 9  4  o 5  1.30994      0.559239    244.506   73.4672      160.168   -106.533     191.762   -106.533     
1 1 1 -55 9  5  f 0  1.64576      0.544613    180.184   -168.122     ?         ?            ?         ?            
1 1 1 -55 9  6  o 17 3.55524      0.605644    266.435   -176.847     328.336   -176.847     43.2177   -176.847     
1 1 1 -55 9  7  o 2  5.04791      0.829818    657.957   90.6755      447.678   90.6756      72.5928   -89.3244     
1 1 1 -55 9  8  o 10 0.974833     0.534377    78.0861   -15.6589     15.8878   164.341      42.6824   164.341      
1 1 1 -55 9  9  o 1  2.45942      0.697369    470.059   20.5709      243.42    20.5709      83.4321   -159.429     
1 1 1 -55 9  10 o 2  2.93907      0.686622    236.222   -90.3464     ?         ?            ?         ?            
1 1 1 -55 9  11 o 6  2.0957       0.622685    158.307   -175.851     ?         ?            ?         ?            
1 1 1 -55 9  12 o 6  4.80055      0.631727    422.189   -94.3785     ?         ?            ?         ?            
1 1 1 -55 9  13 o 9  3.24924      0.598383    230.109   1.44965      ?         ?            ?         ?            
1 1 1 -55 9  14 o 1  0.583644     0.482958    337.337   -156.745     ?         ?            ?         ?            
1 1 1 -55 9  15 o 5  1.15278      0.625727    228.811   -94.0601     ?         ?            ?         ?            
1 1 1 -55 11 1  o 10 1.41446      0.642597    271.934   -176.701     130.954   -176.701     43.8753   3.29853      
1 1 1 -55 11 2  o 12 2.04122      0.730483    531.261   -150.585     146.101   -150.585     141.47    29.4147      
1 1 1 -55 11 3  o 7  0.863536     0.49512     282.349   -42.0284     20.828    -42.0284     103.758   137.972      
1 1 1 -55 11 4  o 19 2.37323      0.564763    94.7991   119.952      189.671   119.952      56.5611   119.952      
1 1 1 -55 11 5  o 17 1.30845      0.503833    20.6457   31.3262      2.86227   31.3262      6.86902   -148.674     
1 1 1 -55 11 6  o 11 2.04328      0.6355      232.454   -32.1067     249.321   -32.1067     31.7913   -32.1067     
1 1 1 -55 11 7  o 5  1.11394      0.556958    544.121   95.0611      ?         ?            ?         ?            
1 1 1 -55 11 8  o 16 1.63569      0.615848    167.536   88.9413      ?         ?            ?         ?            
1 1 1 -55 11 9  o 12 1.77107      0.608037    297.212   73.5043      ?         ?            ?         ?            
1 1 1 -55 11 10 o 18 0.360987     0.612556    191.899   96.6502      ?         ?            ?         ?            
1 1 1 -55 11 11 o 9  0.0721371    0.845659    194.011   31.9278      ?         ?            ?         ?            
1 1 1 -55 11 12 o 9  3.30388      0.710374    169.93    -101.088     ?         ?            ?         ?            
1 1 1 -54 0  1  o 9  6.83713      0.958525    1395.61   180          448.906   1.25476e-14  850.283   3.31224e-15  
1 1 1 -54 0  2  o 10 7.27843      1.21286     617.725   180          300.604   180          126.002   2.37566e-14  
1 1 1 -54 0  3  o 1  11.918       1.33479     1335.4    180          436.531   1.21701e-14  815.102   3.25888e-15  
1 1 1 -54 0  4  o 4  42.1649      2.80483     1465.91   180          2295.19   180          491.717   180          
1 1 1 -54 0  5  o 12 2.13841      0.90964     251.038   180          161.587   2.76501e-15  193.424   1.15495e-15  
1 1 1 -54 0  6  o 13 31.0265      1.9903      1409.15   180          1789.04   180          259.828   180          
1 1 1 -54 0  7  o 8  1.62055      0.647378    259.855   0            202.92    180          218.979   180          
1 1 1 -54 0  8  o 2  13.2628      1.20615     1150.02   0            918.632   0            62.3997   180          
1 1 1 -54 0  9  o 17 4.05768      1.20884     585.621   180          57.6889   180          237.103   8.72393e-15  
1 1 1 -54 0  10 o 19 7.25891      0.940221    741.149   180          532.884   180          69.6378   6.07101e-14  
1 1 1 -54 0  11 o 18 17.3544      1.40456     1353.2    0            1084.16   0            69.656    180          
1 1 1 -54 0  12 o 11 0.635425     0.651892    338.535   0            ?         ?            ?         ?            
1 1 1 -54 0  13 o 5  40.4625      2.28743     1700.92   0            1899.43   0            180.629   0            
1 1 1 -54 0  14 o 19 117.494      5.06537     2133.31   0            4056.44   0            1056.3    0            
1 1 1 -54 0  15 o 17 2.17893      0.661848    457.324   180          109.987   180          154.818   1.20016e-14  
1 1 1 -54 0  16 o 14 5.35759      0.838307    415.091   0            ?         ?            ?         ?            
1 1 1 -54 0  17 o 11 3.39513      1.16051     572.311   180          ?         ?            ?         ?            
1 1 1 -54 0  18 o 2  1.59656      0.942853    402.936   180          ?         ?            ?         ?            
1 1 1 -54 0  19 o 2  0.905587     0.679578    370.973   0            ?         ?            ?         ?            
1 1 1 -54 0  20 o 6  0.351896     0.625483    80.7097   0            ?         ?            ?         ?            
1 1 1 -54 0  21 o 15 15.8435      1.30857     685.904   180          ?         ?            ?         ?            
1 1 1 -54 2  1  o 17 14.5309      0.863123    740.85    110.106      938.217   110.106      135.018   110.106      
1 1 1 -54 2  2  o 4  3.96304      0.577816    458.654   91.1485      145.985   -88.8515     279.435   -88.8515     
1 1 1 -54 2  3  o 3  14.9174      1.0671      1100.21   171.161      514.926   171.161      237.448   -8.8388      
1 1 1 -54 2  4  o 9  46.5737      1.88581     1517.2    116.798      2217.38   116.798      425.642   116.798      
1 1 1 -54 2  5  o 8  10.9624      0.842818    396.367   -110.155     ?         ?            ?         ?            
1 1 1 -54 2  6  o 11 18.5103      0.989345    718.468   134.521      1187.51   134.521      268.757   134.521      
1 1 1 -54 2  7  o 7  33.2782      1.72327     1357.69   2.34769      1671.9    2.34769      220.243   2.34769      
1 1 1 -54 2  8  o 16 15.5976      1.03758     1170.91   -144.082     704.606   -144.082     179.416   35.9185      
1 1 1 -54 2  9  o 15 3.63522      0.595647    280.078   -21.5774     249.426   158.423      251.828   158.423      
1 1 1 -54 2  10 o 13 55.2576      2.33887     1562.99   142.708      2573.67   142.708      579.169   142.708      
1 1 1 -54 2  11 o 15 2.22202      0.499083    435.789   107.032      141.74    -72.968      267.622   -72.968      
1 1 1 -54 2  12 o 17 1.14302      0.429693    378.364   55.0329      165.076   -124.967     253.275   -124.967     
1 1 1 -54 2  13 o 13 7.82694      0.958597    221.391   32.0878      586.177   32.0878      192.751   32.0878      
1 1 1 -54 2  14 o 7  8.41803      0.766913    460.305   157.393      879.698   157.393      229.509   157.393      
1 1 1 -54 2  15 o 7  10.0917      0.970292    476.677   53.4555      1041.22   53.4555      301.926   53.4555      
1 1 1 -54 2  16 o 16 2.19897      0.507108    261.505   -41.929      ?         ?            ?         ?            
1 1 1 -54 2  17 o 12 1.10739      0.496717    230.527   -157.777     ?         ?            ?         ?            
1 1 1 -54 2  18 o 11 2.25495      0.50704     232.878   179.674      ?         ?            ?         ?            
1 1 1 -54 2  19 o 4  1.9483       0.541052    418.658   -9.26386     ?         ?            ?         ?            
1 1 1 -54 2  20 o 18 -0.331636    0.37569     168.034   -78.9937     ?         ?            ?         ?            
1 1 1 -54 4  1  o 10 24.3215      1.33301     1410.84   92.0707      940.753   92.0707      170.319   -87.9293     
1 1 1 -54 4  2  o 7  3.38868      0.528645    646.033   -167.516     148.357   12.484       367.509   12.484       
1 1 1 -54 4  3  o 16 12.5453      0.900322    961.981   24.2832      571.165   24.2832      151.168   -155.717     
1 1 1 -54 4  4  o 13 19.0302      1.07971     811.454   89.3972      1316.97   89.3972      290.035   89.3972      
1 1 1 -54 4  5  o 13 6.12879      0.661184    243.622   -106.137     216.181   -106.137     2.54563   73.8634      
1 1 1 -54 4  6  o 5  8.97219      0.756296    723.44    17.73        529.891   17.73        63.5427   -162.27      
1 1 1 -54 4  7  o 13 54.6674      2.22958     1372.79   -136.038     2698.34   -136.038     726.363   -136.038     
1 1 1 -54 4  8  o 9  4.70558      0.639032    461.526   154.41       235.346   154.41       91.3486   -25.59       
1 1 1 -54 4  9  o 15 32.9106      1.49106     1032.54   131.395      2039.72   131.395      553.288   131.395      
1 1 1 -54 4  10 o 18 33.0351      1.50666     1054.91   101.003      2066.76   101.003      557.449   101.003      
1 1 1 -54 4  11 o 3  6.94279      0.687483    573.637   26.0748      622.027   26.0748      51.9594   26.0748      
1 1 1 -54 4  12 o 16 10.8915      0.93229     1312.76   -123.206     525.536   -123.206     333.006   56.7941      
1 1 1 -54 4  13 o 8  19.4037      1.14827     692.428   122.613      1633.14   122.613      499.952   122.613      
1 1 1 -54 4  14 o 8  5.36916      0.599309    258.075   -172.531     520.42    -172.531     141.811   -172.531     
1 1 1 -54 4  15 o 8  2.84062      0.510904    516.497   -138.547     ?         ?            ?         ?            
1 1 1 -54 4  16 o 7  3.42287      0.637009    215.303   103.126      ?         ?            ?         ?            
1 1 1 -54 4  17 o 3  4.35894      0.795859    506.141   -143.366     ?         ?            ?         ?            
1 1 1 -54 4  18 f 0  0.806926     0.418595    561.913   -68.0132     ?         ?            ?         ?            
1 1 1 -54 4  19 o 5  0.61005      0.394473    188.878   -129.819     ?         ?            ?         ?            
1 1 1 -54 4  20 o 18 0.378475     0.436061    187.917   -106.266     ?         ?            ?         ?            
1 1 1 -54 6  1  o 14 45.5125      1.72229     1584.39   -68.7913     2195.29   -68.7913     382.286   -68.7913     
1 1 1 -54 6  2  f 0  2.79461      0.530544    391.275   53.1703      15.0784   53.1703      169.2     -126.83      
1 1 1 -54 6  3  o 7  10.1707      0.737486    809.425   15.7402      747.302   15.7402      7.98055   15.7402      
1 1 1 -54 6  4  o 16 10.5848      0.820902    741.81    -134.049     806.051   -134.049     67.9659   -134.049     
1 1 1 -54 6  5  o 18 48.2294      1.90349     1178.74   -119.547     2609.79   -119.547     772.733   -119.547     
1 1 1 -54 6  6  o 14 1.95085      0.547778    761.042   58.8572      207.15    -121.143     446.975   -121.143     
1 1 1 -54 6  7  o 10 13.5163      0.989731    491.506   -115.285     1166.82   -115.285     361.673   -115.285     
1 1 1 -54 6  8  o 13 22.3967      1.55649     604.673   -144.616     1662.81   -144.616     558.388   -144.616     
1 1 1 -54 6  9  o 13 2.39884      0.81993     288.871   116.988      52.1836   116.988      104.682   -63.0122     
1 1 1 -54 6  10 o 10 0.983861     0.620969    80.5528   64.4493      49.6799   -115.551     61.4829   -115.551     
1 1 1 -54 6  11 o 3  1.06381      0.649054    360.723   -29.9653     ?         ?            ?         ?            
1 1 1 -54 6  12 o 19 3.8268       0.724624    170.483   127.169      266.081   127.169      54.8135   127.169      
1 1 1 -54 6  13 o 9  4.99302      0.794867    447.486   -94.0669     577.338   -94.0669     84.8543   -94.0669     
1 1 1 -54 6  14 o 5  1.10456      0.484483    245.654   89.0992      ?         ?            ?         ?            
1 1 1 -54 6  15 o 4  2.24714      0.485517    274.514   -172.074     ?         ?            ?         ?            
1 1 1 -54 6  16 o 10 7.68919      0.827479    603.221   -100.02      ?         ?            ?         ?            
1 1 1 -54 6  17 o 12 2.76069      0.53765     117.762   -152.048     ?         ?            ?         ?            
1 1 1 -54 6  18 o 6  2.04672      0.476467    223.655   98.7328      ?         ?            ?         ?            
1 1 1 -54 6  19 o 4  0.33955      0.526216    209.804   103.185      ?         ?            ?         ?            
1 1 1 -54 8  1  o 1  14.8516      1.05832     753.269   106.917      1253.31   106.917      283.007   106.917      
1 1 1 -54 8  2  f 0  46.9946      2.03062     1555.14   -4.11862     2278.31   -4.11862     430.489   -4.11862     
1 1 1 -54 8  3  o 18 1.54802      0.537852    351.589   -149.808     ?         ?            ?         ?            
1 1 1 -54 8  4  o 17 3.28591      0.556025    361.678   132.553      98.6533   132.553      115.508   -47.4471     
1 1 1 -54 8  5  o 8  11.0223      1.08119     1046.77   169.463      697.484   169.463      128.923   -10.5365     
1 1 1 -54 8  6  o 13 12.9465      1.07727     474.409   11.0626      1184.69   11.0626      375.439   11.0626      
1 1 1 -54 8  7  o 18 9.33786      0.89483     157.247   98.3216      637.026   98.3216      246.46    98.3216      
1 1 1 -54 8  8  o 6  4.02162      0.703387    805.057   -7.28563     184.245   -7.28563     277.285   172.714      
1 1 1 -54 8  9  o 15 3.14         0.638875    176.915   -158.698     215.867   -158.698     26.8737   -158.698     
1 1 1 -54 8  10 o 14 0.913257     0.546312    288.254   63.7389      113.587   -116.261     187.862   -116.261     
1 1 1 -54 8  11 o 6  1.39319      0.570972    272.064   -128.617     31.548    -128.617     105.77    51.3832      
1 1 1 -54 8  12 o 14 1.04691      0.571756    341.088   -21.1704     ?         ?            ?         ?            
1 1 1 -54 8  13 o 2  1.03783      0.519841    386.885   102.302      ?         ?            ?         ?            
1 1 1 -54 8  14 o 17 1.49633      0.487725    590.842   54.5062      ?         ?            ?         ?            
1 1 1 -54 8  15 o 13 0.21671      0.469137    108.516   158.939      ?         ?            ?         ?            
1 1 1 -54 8  16 o 14 1.39693      0.734628    274.63    88.1678      ?         ?            ?         ?            
1 1 1 -54 8  17 o 16 1.79282      0.532721    94.3021   -83.0599     ?         ?            ?         ?            
1 1 1 -54 10 1  o 14 1.53418      0.745288    279.474   -62.2084     75.9256   -62.2084     85.446    117.792      
1 1 1 -54 10 2  o 11 1.54072      0.644108    629.523   -100.676     68.543    79.324       313.577   79.324       
1 1 1 -54 10 3  o 12 1.7237       0.587474    234.785   118.012      114.359   118.012      47.1311   -61.9878     
1 1 1 -54 10 4  o 2  3.7547       0.610401    119.547   30.9054      303.978   30.9054      98.9752   30.9054      
1 1 1 -54 10 5  o 5  2.10204      0.55726     299.111   -169.582     204.841   -169.582     29.5186   10.4185      
1 1 1 -54 10 6  o 16 1.84752      0.555537    405.192   -116.107     146.814   -116.107     103.671   63.893       
1 1 1 -54 10 7  o 17 3.81091      0.683062    730.448   -172.605     339.001   -172.605     145.324   7.39518      
1 1 1 -54 10 8  o 17 0.350414     0.514398    236.978   43.1178      89.2852   -136.882     144.901   -136.882     
1 1 1 -54 10 9  o 7  1.87696      0.80636     292.766   -102.332     ?         ?            ?         ?            
1 1 1 -54 10 10 f 0  1.7925       0.504464    398.494   54.0655      ?         ?            ?         ?            
1 1 1 -54 10 11 o 14 1.43625      0.52586     286.94    -76.6834     ?         ?            ?         ?            
1 1 1 -54 10 12 o 15 4.31094      0.63367     550.957   -82.1408     ?         ?            ?         ?            
1 1 1 -54 10 13 o 3  -0.233125    0.453217    110.968   156.158      ?         ?            ?         ?            
1 1 1 -54 10 14 o 1  0.822218     0.642968    161.764   -109.174     ?         ?            ?         ?            
1 1 1 -54 12 1  o 15 0.139541     0.453069    249.744   -159.486     89.9552   20.514       142.544   20.514       
1 1 1 -54 12 2  o 9  1.23888      0.560351    417.106   -68.9007     106.153   -68.9007     110.188   111.099      
1 1 1 -54 12 3  o 6  1.27107      0.542437    221.526   142.839      152.804   142.839      10.3563   -37.1606     
1 1 1 -54 12 4  o 9  1.19007      0.568573    333.983   77.4433      65.8538   77.4433      97.7743   -102.557     
1 1 1 -54 12 5  o 16 1.11642      0.545326    419.597   -108.948     ?         ?            ?         ?            
1 1 1 -54 12 6  o 8  0.888467     0.554078    190.216   -148.778     ?         ?            ?         ?            
1 1 1 -54 12 7  o 3  0.953531     0.536263    313.422   80.1523      ?         ?            ?         ?            
1 1 1 -54 12 8  o 19 1.39548      0.692801    220.896   -37.4822     ?         ?            ?         ?            
1 1 1 -54 12 9  o 14 0.198904     0.511735    211.773   -148.823     ?         ?            ?         ?            
1 1 1 -54 12 10 o 1  0.106525     0.452135    329.869   93.3505      ?         ?            ?         ?            
1 1 1 -53 1  1  o 13 8.33131      0.733586    502.615   103.885      356.58    103.885      45.2714   -76.115      
1 1 1 -53 1  2  o 2  59.8554      2.1619      1219.61   -63.304      2835.25   -63.304      876.815   -63.304      
1 1 1 -53 1  3  o 19 11.569       0.914597    884.57    23.9574      556.137   23.9574      113.835   -156.043     
1 1 1 -53 1  4  o 15 2.25417      0.518571    1122.24   -18.0137     729.799   161.986      862.833   161.986      
1 1 1 -53 1  5  o 10 28.1994      1.44156     1018.07   123.994      1464.62   123.994      278.964   123.994      
1 1 1 -53 1  6  o 6  4.22988      0.653635    564.702   -6.2851      5.68243   -6.2851      249.929   173.715      
1 1 1 -53 1  7  o 17 2.82553      0.56818     775.35    -78.2895     ?         ?            ?         ?            
1 1 1 -53 1  8  o 11 16.9898      0.917468    1458.39   148.269      400.238   148.269      459.885   -31.7313     
1 1 1 -53 1  9  o 14 25.1236      1.32961     601.127   -122.493     1763.64   -122.493     608.942   -122.493     
1 1 1 -53 1  10 o 19 15.28        1.01784     937.898   -52.3112     1034.2    -52.3112     91.337    -52.3112     
1 1 1 -53 1  11 o 12 41.4738      1.87942     1272.28   -157.919     2247.52   -157.919     547.742   -157.919     
1 1 1 -53 1  12 o 15 3.08594      0.531331    280.6     88.9666      27.0058   88.9666      113.147   -91.0334     
1 1 1 -53 1  13 o 4  11.4048      0.774577    1280.59   12.3555      554.365   12.3555      300.999   -167.645     
1 1 1 -53 1  14 o 6  11.5212      0.808433    239.21    10.5132      917.018   10.5132      349.833   10.5132      
1 1 1 -53 1  15 o 16 1.50194      0.489442    278.524   86.6345      30.4284   -93.3655     142.837   -93.3655     
1 1 1 -53 1  16 o 7  16.1909      0.955655    469.466   36.167       ?         ?            ?         ?            
1 1 1 -53 1  17 f 0  3.05364      0.634952    337.054   -35.4175     ?         ?            ?         ?            
1 1 1 -53 1  18 f 0  0.799239     0.437259    182.33    143.895      ?         ?            ?         ?            
1 1 1 -53 1  19 f 0  1.61294      0.556242    235.495   -93.6979     ?         ?            ?         ?            
1 1 1 -53 1  20 o 2  0.389113     0.401044    262.488   -44.6162     ?         ?            ?         ?            
1 1 1 -53 1  21 o 10 3.81988      0.50602     249.826   -70.0732     ?         ?            ?         ?            
1 1 1 -53 3  1  o 1  23.6323      1.30324     875.743   -105.177     1553.63   -105.177     382.073   -105.177     
1 1 1 -53 3  2  o 12 39.7709      1.79167     1074.2    56.9337      2166.43   56.9337      599.925   56.9337      
1 1 1 -53 3  3  o 10 0.852644     0.443456    246.308   94.368       ?         ?            ?         ?            
1 1 1 -53 3  4  o 3  23.8946      1.14317     1577.6    -113.182     1015.38   -113.182     202.348   66.8175      
1 1 1 -53 3  5  o 15 19.158       1.15783     778.196   -2.56607     847.204   -2.56607     72.5997   -2.56607     
1 1 1 -53 3  6  o 8  3.27358      0.492094    540.511   -34.7159     ?         ?            ?         ?            
1 1 1 -53 3  7  o 8  30.5049      1.22965     1415.69   95.1375      1340.94   95.1375      28.4757   95.1375      
1 1 1 -53 3  8  o 12 16.7853      0.947143    942.344   -17.9702     1080.84   -17.9702     112.492   -17.9702     
1 1 1 -53 3  9  o 3  4.41832      0.586166    756.507   3.15687      7.10503   -176.843     346.89    -176.843     
1 1 1 -53 3  10 f 0  45.06        1.8671      1326.97   36.5655      2369.91   36.5655      584.181   36.5655      
1 1 1 -53 3  11 o 8  12.9173      0.819316    1005.16   -98.7154     880.25    -98.7154     13.668    81.2846      
1 1 1 -53 3  12 o 1  2.3413       0.501256    511.095   -4.67737     50.0292   175.323      255.656   175.323      
1 1 1 -53 3  13 o 7  7.17348      0.651659    841.286   53.1959      506.102   53.1959      128.306   -126.804     
1 1 1 -53 3  14 o 10 3.44836      0.638491    383.425   -128.785     198.473   -128.785     76.0165   51.215       
1 1 1 -53 3  15 o 4  11.7485      0.948045    814.334   167.095      974.708   167.095      113.803   167.095      
1 1 1 -53 3  16 o 1  2.4156       0.510184    435.143   24.0314      ?         ?            ?         ?            
1 1 1 -53 3  17 o 1  6.17938      0.628391    376.821   62.541       ?         ?            ?         ?            
1 1 1 -53 3  18 o 13 4.04114      0.558243    190.669   118.284      ?         ?            ?         ?            
1 1 1 -53 3  19 o 18 0.680929     0.403852    233.337   -78.2636     ?         ?            ?         ?            
1 1 1 -53 3  20 o 18 3.75295      0.546936    203.945   -65.9884     ?         ?            ?         ?            
1 1 1 -53 5  1  o 15 19.4428      1.00142     1123.33   -88.1923     1176.69   -88.1923     78.3301   -88.1923     
1 1 1 -53 5  2  o 14 11.4209      0.86939     684.619   -47.6835     841.05    -47.6835     109.635   -47.6835     
1 1 1 -53 5  3  f 0  6.43765      0.670875    479.084   -49.0122     204.843   130.988      319.983   130.988      
1 1 1 -53 5  4  o 18 25.486       1.25885     1085.72   -10.9277     1406.87   -10.9277     210.417   -10.9277     
1 1 1 -53 5  5  o 8  67.6942      2.48438     1814.61   28.2755      2729.14   28.2755      540.776   28.2755      
1 1 1 -53 5  6  o 16 13.1821      0.968618    1105.39   -81.1698     742.429   -81.1698     130.254   98.8302      
1 1 1 -53 5  7  o 9  43.6245      2.71981     1199.22   -103.25      2387.79   -103.25      650.603   -103.25      
1 1 1 -53 5  8  o 14 37.8651      1.66372     1109.69   15.7034      2200.37   15.7034      598.416   15.7034      
1 1 1 -53 5  9  o 7  21.7325      1.10088     1053.19   -120.541     1351.75   -120.541     200.519   -120.541     
1 1 1 -53 5  10 o 3  17.7114      1.063       292.867   -163.816     1294.12   -163.816     514.92    -163.816     
1 1 1 -53 5  11 o 6  13.6141      1.28125     521.947   130.844      1242.18   130.844      384.936   130.844      
1 1 1 -53 5  12 o 12 3.53676      0.619734    534.572   -9.78263     229.853   -9.78263     128.462   170.217      
1 1 1 -53 5  13 o 1  17.263       1.16129     866.289   168.758      1380.98   168.758      293.415   168.758      
1 1 1 -53 5  14 o 19 11.729       0.998268    891.995   118.986      948.181   118.986      65.7366   118.986      
1 1 1 -53 5  15 f 0  4.15366      0.609841    507.849   -56.2172     ?         ?            ?         ?            
1 1 1 -53 5  16 o 6  3.98082      0.583583    156.438   125.166      ?         ?            ?         ?            
1 1 1 -53 5  17 o 5  4.3966       0.613253    587.464   -168.595     ?         ?            ?         ?            
1 1 1 -53 5  18 o 12 -0.212644    0.410316    137.01    -96.0445     ?         ?            ?         ?            
1 1 1 -53 5  19 o 16 3.49471      0.675864    259.146   -73.6908     ?         ?            ?         ?            
1 1 1 -53 7  1  o 5  1.68403      0.541846    451.036   -108.332     109.086   71.6683      258.032   71.6683      
1 1 1 -53 7  2  o 6  2.16744      0.524829    722.325   -8.18216     141.605   171.818      396.663   171.818      
1 1 1 -53 7  3  o 14 15.926       1.13978     1008.05   31.4832      1126.04   31.4832      108.263   31.4832      
1 1 1 -53 7  4  o 3  26.513       1.2792      790.643   -62.2513     1818.09   -62.2513     552.364   -62.2513     
1 1 1 -53 7  5  o 9  19.8577      1.15372     278.315   -6.94431     1430.41   -6.94431     589.635   -6.94431     
1 1 1 -53 7  6  o 9  12.9149      1.29898     1042.06   111.827      827.534   111.827      56.6465   -68.1733     
1 1 1 -53 7  7  o 5  3.24419      0.777622    514.315   175.017      129.456   175.017      167.776   -4.98252     
1 1 1 -53 7  8  o 17 4.22789      0.894435    521.158   -125.839     318.778   -125.839     76.8688   54.1614      
1 1 1 -53 7  9  o 9  1.53398      0.548095    359.466   -101.783     116.105   78.2175      221.723   78.2175      
1 1 1 -53 7  10 o 3  1.07327      0.477938    755.339   -40.8274     417.695   139.173      554.502   139.173      
1 1 1 -53 7  11 o 16 9.3459       0.826646    787.302   19.5845      825.245   19.5845      51.3515   19.5845      
1 1 1 -53 7  12 o 8  2.39123      0.543429    739.701   -152.768     16.498    -152.768     329.45    27.2318      
1 1 1 -53 7  13 o 3  14.4435      0.937006    719.902   93.1812      ?         ?            ?         ?            
1 1 1 -53 7  14 o 2  3.73494      0.612586    190.634   28.7137      ?         ?            ?         ?            
1 1 1 -53 7  15 o 3  0.619586     0.482182    166.74    -3.79805     ?         ?            ?         ?            
1 1 1 -53 7  16 o 3  0.898975     0.503978    84.9108   102.6        ?         ?            ?         ?            
1 1 1 -53 7  17 o 9  0.342558     0.430321    185.78    -37.5428     ?         ?            ?         ?            
1 1 1 -53 7  18 o 1  0.947632     0.533732    322.58    17.3556      ?         ?            ?         ?            
1 1 1 -53 9  1  o 12 2.95593      0.601123    583.907   -31.9469     44.6144   -31.9469     245.625   148.053      
1 1 1 -53 9  2  o 12 6.04991      0.739534    608.681   102.615      535.332   102.615      11.578    -77.3849     
1 1 1 -53 9  3  o 18 0.0434677    0.433257    659.257   -99.7224     ?         ?            ?         ?            
1 1 1 -53 9  4  o 3  6.05564      0.800411    214.933   51.8172      511.546   51.8172      157.163   51.8172      
1 1 1 -53 9  5  o 15 0.925469     0.589375    660.926   -101.134     ?         ?            ?         ?            
1 1 1 -53 9  6  o 15 8.54684      0.863841    635.866   165.32       846.724   165.32       131.693   165.32       
1 1 1 -53 9  7  o 14 6.74956      0.941362    799.219   -7.17086     575.801   -7.17086     77.941    172.829      
1 1 1 -53 9  8  o 6  3.59608      0.658055    274.633   143.513      404.834   143.513      77.4058   143.513      
1 1 1 -53 9  9  o 12 9.37283      0.846065    532.185   97.4614      1021.71   97.4614      271.401   97.4614      
1 1 1 -53 9  10 o 3  5.62623      0.793806    207.451   158.184      631.41    158.184      224.217   158.184      
1 1 1 -53 9  11 o 1  5.82692      0.677432    300.567   -80.0955     ?         ?            ?         ?            
1 1 1 -53 9  12 o 1  9.41337      0.817115    724.601   87.7605      ?         ?            ?         ?            
1 1 1 -53 9  13 o 5  0.871525     0.486986    167.835   -14.5245     ?         ?            ?         ?            
1 1 1 -53 9  14 o 16 4.13743      0.590086    520.843   -164.236     ?         ?            ?         ?            
1 1 1 -53 9  15 o 6  2.23683      0.742431    389.765   82.7184      ?         ?            ?         ?            
1 1 1 -53 9  16 o 1  0.850415     0.452898    118.705   7.0018       ?         ?            ?         ?            
1 1 1 -53 11 1  o 6  0.0156318    0.596416    369.631   25.0007      178.225   -154.999     243.063   -154.999     
1 1 1 -53 11 2  o 4  2.69234      0.808665    359.49    71.6224      361.212   71.6224      30.0644   71.6224      
1 1 1 -53 11 3  o 11 0.711293     0.486363    75.7534   -98.2176     39.3796   81.7824      51.4594   81.7824      
1 1 1 -53 11 4  f 0  5.30246      0.654864    452.198   -100.295     727.943   -100.295     174.806   -100.295     
1 1 1 -53 11 5  o 3  -0.0102858   0.459894    154.154   -125.621     103.54    54.3786      115.843   54.3786      
1 1 1 -53 11 6  o 2  3.54205      0.676916    498.099   155.741      457.047   155.741      23.5378   155.741      
1 1 1 -53 11 7  o 17 3.76104      0.749374    693.066   -61.2301     399.221   -61.2301     82.0685   118.77       
1 1 1 -53 11 8  o 6  1.62039      0.568706    245.919   -57.5253     ?         ?            ?         ?            
1 1 1 -53 11 9  o 10 0.447992     0.498159    187.672   158.185      ?         ?            ?         ?            
1 1 1 -53 11 10 o 2  0.375475     0.50316     311.504   -172.994     ?         ?            ?         ?            
1 1 1 -53 11 11 o 4  1.59567      0.834299    248.2     39.9816      ?         ?            ?         ?            
1 1 1 -53 11 12 o 2  0.552094     0.511728    246.743   12.0968      ?         ?            ?         ?            
1 1 1 -53 11 13 o 9  0.47489      0.58631     166.9     -33.6105     ?         ?            ?         ?            
1 1 1 -53 13 1  o 5  0.774085     0.466363    116.19    48.4553      66.9844   48.4553      10.0595   -131.545     
1 1 1 -53 13 2  o 11 0.207524     0.489827    148.184   172.819      ?         ?            ?         ?            
1 1 1 -53 13 3  o 18 3.01189      0.657518    465.984   20.0619      ?         ?            ?         ?            
1 1 1 -53 13 4  f 0  1.41456      0.564699    47.3166   24.1602      ?         ?            ?         ?            
1 1 1 -53 13 5  o 3  -0.57201     0.479762    279.64    100.443      ?         ?            ?         ?            
1 1 1 -53 13 6  o 3  1.34867      0.570932    522.18    -109.188     ?         ?            ?         ?            
1 1 1 -52 0  1  o 8  25.7026      1.65841     1183.12   0            1201.4    0            82.2415   0            
1 1 1 -52 0  2  o 9  1.35256      0.60104     615.036   180          ?         ?            ?         ?            
1 1 1 -52 0  3  o 5  118.216      5.87249     2605.56   180          3772.36   180          749.627   180          
1 1 1 -52 0  4  o 3  6.41829      0.879388    453.712   180          244.172   180          76.2127   2.9497e-14   
1 1 1 -52 0  5  o 3  58.3424      4.42569     2010.76   0            2352.88   0            293.512   0            
1 1 1 -52 0  6  o 3  13.133       1.34022     649.779   0            995.5     0            210.449   0            
1 1 1 -52 0  7  o 3  1.98917      0.749279    88.7816   180          69.6048   9.63801e-16  74.3852   4.50931e-16  
1 1 1 -52 0  8  o 16 -0.272384    0.676495    450.626   0            401.355   180          403.273   180          
1 1 1 -52 0  9  o 18 3.59897      1.77777     514.486   180          175.785   1.1572e-14   320.739   3.17111e-15  
1 1 1 -52 0  10 o 9  8.20499      1.15417     68.1378   0            108.197   0            23.16     0            
1 1 1 -52 0  11 o 5  2.64962      0.869204    492.834   0            76.3766   180          261.784   180          
1 1 1 -52 0  12 f 0  24.0093      1.7627      753.613   180          1961.41   180          639.967   180          
1 1 1 -52 0  13 o 2  16.6962      1.37121     641.574   180          1606.89   180          514.012   180          
1 1 1 -52 0  14 o 13 82.3048      10.9153     1989.04   180          3004.44   180          601.95    180          
1 1 1 -52 0  15 o 3  10.9433      0.986842    427.293   0            1218.89   0            414.323   0            
1 1 1 -52 0  16 o 19 1.13622      0.576922    137.303   0            ?         ?            ?         ?            
1 1 1 -52 0  17 o 3  3.87983      0.826248    307.395   180          ?         ?            ?         ?            
1 1 1 -52 0  18 o 1  15.2931      1.77098     880.095   0            ?         ?            ?         ?            
1 1 1 -52 0  19 o 9  0.392334     0.770907    282.615   180          ?         ?            ?         ?            
1 1 1 -52 0  20 o 18 1.84391      0.65878     103.22    0            ?         ?            ?         ?            
1 1 1 -52 0  21 o 14 1.42736      0.575425    179.958   0            ?         ?            ?         ?            
1 1 1 -52 2  1  o 5  13.948       0.894888    1362.79   -128.049     458.582   -128.049     373.852   51.9514      
1 1 1 -52 2  2  o 9  75.3161      2.98214     2270.06   -133.123     2621.1    -133.123     309.132   -133.123     
1 1 1 -52 2  3  o 9  35.4846      1.73289     1808.62   168.779      1530.7    168.779      31.8619   -11.2214     
1 1 1 -52 2  4  o 2  54.8841      2.27748     1519.88   26.5443      2446.77   26.5443      552.279   26.5443      
1 1 1 -52 2  5  o 2  26.3592      1.57191     1150.31   -28.2009     1452.74   -28.2009     216.37    -28.2009     
1 1 1 -52 2  6  o 10 2.8242       0.574953    676.922   109.306      ?         ?            ?         ?            
1 1 1 -52 2  7  o 10 24.9708      1.47229     1186.99   -151.462     792.145   -151.462     136.865   28.5378      
1 1 1 -52 2  8  o 3  40.0364      1.51678     1054      107.064      1984.57   107.064      516.101   107.064      
1 1 1 -52 2  9  o 7  9.24784      0.70253     504.823   -86.2045     491.748   -86.2045     16.8496   -86.2045     
1 1 1 -52 2  10 o 3  8.94069      0.685454    758.181   -75.5455     286.937   -75.5455     200.812   104.454      
1 1 1 -52 2  11 o 7  34.3075      1.4532      1528      29.5906      1727.32   29.5906      171.397   29.5906      
1 1 1 -52 2  12 o 11 1.21277      0.418797    161.523   -162.093     81.6801   17.907       113.774   17.907       
1 1 1 -52 2  13 o 9  27.039       1.49263     849.866   -140.974     1924.89   -140.974     578.888   -140.974     
1 1 1 -52 2  14 o 15 2.37166      0.525332    336.2     133.445      128.424   -46.5554     216.779   -46.5554     
1 1 1 -52 2  15 f 0  13.6688      0.827021    751.335   0.724401     1190.81   0.724401     251.405   0.724401     
1 1 1 -52 2  16 o 19 4.43407      0.667786    252.361   -85.5474     ?         ?            ?         ?            
1 1 1 -52 2  17 o 6  3.77632      0.519732    185.07    79.2481      ?         ?            ?         ?            
1 1 1 -52 2  18 o 6  2.33308      0.531897    443.73    -55.7192     ?         ?            ?         ?            
1 1 1 -52 2  19 o 2  0.293905     0.439459    355.726   171.583      ?         ?            ?         ?            
1 1 1 -52 2  20 o 10 0.439115     0.409318    364.597   120.698      ?         ?            ?         ?            
1 1 1 -52 2  21 o 18 0.894598     0.516984    260.772   -28.1162     ?         ?            ?         ?            
1 1 1 -52 4  1  o 14 73.2269      3.23806     1742.61   -27.8464     2868.42   -27.8464     647.195   -27.8464     
1 1 1 -52 4  2  o 5  15.6401      0.992452    1261.41   -94.0167     807.445   -94.0167     165.099   85.9833      
1 1 1 -52 4  3  o 3  2.80353      0.525127    246.171   119.542      74.9884   -60.4577     148.458   -60.4577     
1 1 1 -52 4  4  o 7  1.44386      0.487927    331.589   155.521      ?         ?            ?         ?            
1 1 1 -52 4  5  o 12 49.4309      2.14868     1660.54   -127.462     2221.29   -127.462     360.111   -127.462     
1 1 1 -52 4  6  o 7  5.614        0.968002    603.682   -111.408     141.991   -111.408     202.481   68.5923      
1 1 1 -52 4  7  o 17 58.4677      2.45148     1926.03   22.3801      2297.34   22.3801      274.52    22.3801      
1 1 1 -52 4  8  o 2  44.5044      1.82278     1689.6    173.947      1998.15   173.947      231.789   173.947      
1 1 1 -52 4  9  o 13 26.4033      1.27059     1217.85   -68.9778     1536.26   -68.9778     215.769   -68.9778     
1 1 1 -52 4  10 o 2  20.6215      1.21979     1246.39   -23.1532     1209.59   -23.1532     41.0099   -23.1532     
1 1 1 -52 4  11 o 16 6.87911      0.707516    1135.68   93.2483      214.92    93.2483      405.012   -86.7517     
1 1 1 -52 4  12 o 19 6.36106      0.697331    924.204   87.0561      375.371   87.0561      229.625   -92.9439     
1 1 1 -52 4  13 o 12 7.98662      0.774269    526.231   -22.6068     783.367   -22.6068     152.737   -22.6068     
1 1 1 -52 4  14 o 17 3.69228      0.552723    148.894   30.8018      165.715   30.8018      14.6943   30.8018      
1 1 1 -52 4  15 o 13 8.74275      0.766771    507.208   56.1631      947.005   56.1631      241.091   56.1631      
1 1 1 -52 4  16 o 16 4.47864      0.593315    509.389   -14.6408     ?         ?            ?         ?            
1 1 1 -52 4  17 o 3  0.256175     0.528316    316.8     60.1367      ?         ?            ?         ?            
1 1 1 -52 4  18 o 4  0.0954849    0.43522     287.248   -158.61      ?         ?            ?         ?            
1 1 1 -52 4  19 o 8  2.36464      0.470676    32.692    -137.262     ?         ?            ?         ?            
1 1 1 -52 4  20 o 6  4.33668      0.585401    449.735   105.132      ?         ?            ?         ?            
1 1 1 -52 6  1  o 16 19.3325      1.13025     1048.76   73.2362      1168.49   73.2362      108.865   73.2362      
1 1 1 -52 6  2  o 6  9.03329      0.743545    1123.64   -168.615     415.274   -168.615     301.939   11.3849      
1 1 1 -52 6  3  o 18 9.94777      0.75754     499.706   -48.1992     747.605   -48.1992     147.16    -48.1992     
1 1 1 -52 6  4  o 15 13.3542      0.847071    1229.11   19.0699      657.061   19.0699      228.8     -160.93      
1 1 1 -52 6  5  o 19 24.5275      1.32082     1166.7    154.764      1488.3    154.764      215.463   154.764      
1 1 1 -52 6  6  o 13 33.2112      1.88125     1225.39   -170.94      1815.06   -170.94      352.867   -170.94      
1 1 1 -52 6  7  o 13 113.463      3.33056     2671.45   11.3447      3404.16   11.3447      494.679   11.3447      
1 1 1 -52 6  8  o 15 6.12496      0.608374    319.313   -35.5026     342.733   -35.5026     27.2519   -35.5026     
1 1 1 -52 6  9  o 11 3.93853      0.523444    338.871   -143.221     215.833   -143.221     44.9684   36.7789      
1 1 1 -52 6  10 o 16 3.58292      0.674191    46.7973   -111.38      28.8811   -111.38      6.71389   68.6198      
1 1 1 -52 6  11 o 17 -0.686301    0.556389    377.818   -79.7282     ?         ?            ?         ?            
1 1 1 -52 6  12 f 0  13.3984      0.876306    533.501   171.41       1306.4    171.41       409.164   171.41       
1 1 1 -52 6  13 o 15 9.19672      0.838447    698.186   -26.9154     884.879   -26.9154     122.104   -26.9154     
1 1 1 -52 6  14 o 17 10.5856      0.890464    770.412   -133.059     ?         ?            ?         ?            
1 1 1 -52 6  15 o 7  15.7935      1.09581     759.63    115.652      ?         ?            ?         ?            
1 1 1 -52 6  16 o 2  5.14657      0.704767    390.084   82.7319      ?         ?            ?         ?            
1 1 1 -52 6  17 o 6  7.01139      0.657435    237.375   -5.28464     ?         ?            ?         ?            
1 1 1 -52 6  18 o 9  2.38854      0.501994    370.235   -32.0488     ?         ?            ?         ?            
1 1 1 -52 6  19 o 3  1.935        0.596126    282.762   -131.784     ?         ?            ?         ?            
1 1 1 -52 8  1  o 14 1.42656      0.511491    116.168   -61.4063     104.137   118.594      104.657   118.594      
1 1 1 -52 8  2  f 0  8.99552      0.821331    964.396   -107.062     533.684   -107.062     169.4     72.9378      
1 1 1 -52 8  3  o 9  3.79116      0.70161     664.287   151.554      29.6737   -28.4461     315.274   -28.4461     
1 1 1 -52 8  4  o 16 2.01166      0.590163    624.539   -57.291      373.757   122.709      469.446   122.709      
1 1 1 -52 8  5  o 18 17.8648      1.6978      1143.23   -6.68129     1042.54   -6.68129     3.49104   -6.68129     
1 1 1 -52 8  6  o 9  10.2975      0.995609    1177.79   -116.717     532.252   -116.717     268.309   63.2834      
1 1 1 -52 8  7  o 9  0.764636     0.589634    482.493   -148.466     328.691   31.5341      383.918   31.5341      
1 1 1 -52 8  8  o 8  27.7586      1.41921     794.552   122.05       2030.43   122.05       652.276   122.05       
1 1 1 -52 8  9  o 15 4.21714      0.594717    670.603   -171.108     299.444   -171.108     157.679   8.89221      
1 1 1 -52 8  10 o 10 5.34531      0.65464     506.12    -101.941     566.664   -101.941     51.1566   -101.941     
1 1 1 -52 8  11 o 1  0.750792     0.49751     342.272   -157.17      126.556   22.8302      219.283   22.8302      
1 1 1 -52 8  12 o 15 3.8446       0.634874    397.369   26.1014      479.925   26.1014      62.2215   26.1014      
1 1 1 -52 8  13 o 18 3.23898      0.549595    333.745   -126.062     ?         ?            ?         ?            
1 1 1 -52 8  14 o 9  0.779693     0.496496    164.396   34.6334      ?         ?            ?         ?            
1 1 1 -52 8  15 o 2  4.09144      0.566316    454.391   138.085      ?         ?            ?         ?            
1 1 1 -52 8  16 o 5  1.08764      0.422387    182.672   -88.9764     ?         ?            ?         ?            
1 1 1 -52 8  17 o 17 -0.138387    0.450655    207.203   49.4369      ?         ?            ?         ?            
1 1 1 -52 10 1  o 3  2.85868      0.652487    630.334   60.0721      197.271   60.0721      187.444   -119.928     
1 1 1 -52 10 2  o 18 0.402368     0.460961    311.817   -137.019     ?         ?            ?         ?            
1 1 1 -52 10 3  o 15 1.91306      0.645772    251.292   59.4836      8.78731   59.4836      109.979   -120.516     
1 1 1 -52 10 4  o 16 8.06779      0.895048    576.041   -64.6318     841.267   -64.6318     158.752   -64.6318     
1 1 1 -52 10 5  o 5  0.938163     0.521659    522.184   -2.32392     291.583   177.676      382.446   177.676      
1 1 1 -52 10 6  f 0  0.649972     0.547283    427.312   -87.4991     ?         ?            ?         ?            
1 1 1 -52 10 7  o 6  1.22269      0.529483    345.506   154.131      33.0858   -25.8692     170.633   -25.8692     
1 1 1 -52 10 8  o 4  0.550623     0.570149    359.08    13.5859      213.677   -166.414     264.503   -166.414     
1 1 1 -52 10 9  o 3  0.781624     0.616997    267.155   39.2061      108.269   -140.794     168.895   -140.794     
1 1 1 -52 10 10 o 11 -0.66146     0.405042    449.327   -117.568     ?         ?            ?         ?            
1 1 1 -52 10 11 f 0  4.86028      0.605018    143.85    125.406      ?         ?            ?         ?            
1 1 1 -52 10 12 f 0  2.94348      0.611319    426.777   95.3151      ?         ?            ?         ?            
1 1 1 -52 10 13 o 12 1.15443      0.506411    390.594   92.5469      ?         ?            ?         ?            
1 1 1 -52 10 14 o 16 0.804465     0.593729    337.492   39.9592      ?         ?            ?         ?            
1 1 1 -52 10 15 o 2  0.819639     0.513601    346.307   -120.636     ?         ?            ?         ?            
1 1 1 -52 12 1  o 13 1.13151      0.642158    196.158   58.1363      77.4271   58.1363      39.0324   -121.864     
1 1 1 -52 12 2  o 19 2.32536      0.570939    554.453   45.3423      270.875   45.3423      84.8483   -134.658     
1 1 1 -52 12 3  o 12 0.547719     0.478685    306.818   -101.995     78.3748   78.0055      161.161   78.0055      
1 1 1 -52 12 4  o 13 0.72681      0.545518    304.133   -142.256     0.478815  -142.256     120.509   37.744       
1 1 1 -52 12 5  o 2  0.179062     0.472506    366.636   20.3398      133.907   -159.66      212.082   -159.66      
1 1 1 -52 12 6  o 6  0.324376     0.556233    460.143   8.17587      ?         ?            ?         ?            
1 1 1 -52 12 7  o 5  0.526618     0.596734    249.513   -123.556     ?         ?            ?         ?            
1 1 1 -52 12 8  o 7  1.14961      0.498449    296.385   95.8524      ?         ?            ?         ?            
1 1 1 -52 12 9  o 5  -0.417367    0.447277    313.694   35.3363      ?         ?            ?         ?            
1 1 1 -52 12 10 o 17 0.751512     0.54778     343.774   -67.9157     ?         ?            ?         ?            
1 1 1 -52 12 11 o 3  0.385723     0.435039    174.505   -145.175     ?         ?            ?         ?            
1 1 1 -51 1  1  o 4  59.237       2.08653     1707.95   -2.5746      2301.29   -2.5746      410.824   -2.5746      
1 1 1 -51 1  2  o 4  9.72123      0.702985    987.852   -158.882     0.266806  21.1184      426.387   21.1184      
1 1 1 -51 1  3  o 16 19.7714      1.01374     900.796   -88.2454     1264.23   -88.2454     243.737   -88.2454     
1 1 1 -51 1  4  o 3  37.4729      1.63077     1512.06   -133.587     1685.07   -133.587     189.125   -133.587     
1 1 1 -51 1  5  o 9  13.0856      1.03057     1242.82   -171.144     602.519   -171.144     238.635   8.85558      
1 1 1 -51 1  6  o 6  1.54446      0.553051    529.105   -72.9905     296.401   107.01       379.872   107.01       
1 1 1 -51 1  7  o 10 41.4423      2.24062     1474.67   110.945      1978.1    110.945      336.996   110.945      
1 1 1 -51 1  8  o 7  23.1363      1.18906     1937.28   -46.0129     751.592   -46.0129     489.775   133.987      
1 1 1 -51 1  9  o 3  5.07632      0.67021     280.809   55.5387      117.173   -124.461     185.205   -124.461     
1 1 1 -51 1  10 o 13 15.7487      0.903404    913.369   108.206      975.244   108.206      73.3745   108.206      
1 1 1 -51 1  11 o 5  33.2814      1.70932     1320.25   125.413      1793.57   125.413      297.309   125.413      
1 1 1 -51 1  12 o 7  8.36911      0.67227     674.894   -115.596     599.162   -115.596     5.99482   64.4042      
1 1 1 -51 1  13 o 16 8.51453      0.665029    585.544   33.8661      719.846   33.8661      95.6851   33.8661      
1 1 1 -51 1  14 o 15 0.839713     0.389865    233.356   -2.8292      181.005   177.171      195.942   177.171      
1 1 1 -51 1  15 o 8  62.355       2.12657     1640.79   -154.375     2809.23   -154.375     657.286   -154.375     
1 1 1 -51 1  16 o 8  11.1426      0.858047    583.373   -156.68      1101.44   -156.68      283.043   -156.68      
1 1 1 -51 1  17 o 7  7.6783       0.829605    748.719   15.2955      ?         ?            ?         ?            
1 1 1 -51 1  18 o 6  0.776027     0.577284    200.234   105.166      ?         ?            ?         ?            
1 1 1 -51 1  19 f 0  0.425429     0.400837    296.837   49.3466      ?         ?            ?         ?            
1 1 1 -51 1  20 o 6  0.512127     0.440189    409.444   116.606      ?         ?            ?         ?            
1 1 1 -51 1  21 o 3  1.13512      0.446007    7.3938    127.663      ?         ?            ?         ?            
1 1 1 -51 3  1  o 8  5.00533      0.59688     817.19    -40.2663     9.88506   -40.2663     356.582   139.734      
1 1 1 -51 3  2  o 5  24.2463      1.42566     849.205   -132.415     1565.92   -132.415     408.451   -132.415     
1 1 1 -51 3  3  o 8  30.4251      1.54468     1538.13   -110.758     1429.18   -110.758     36.7089   -110.758     
1 1 1 -51 3  4  o 1  21.1721      1.23271     1034.97   164.942      1312.45   164.942      199.238   164.942      
1 1 1 -51 3  5  o 8  17.9279      1.22096     1053.47   20.2888      922.77    20.2888      5.73228   -159.711     
1 1 1 -51 3  6  o 8  17.0179      1.06472     1657.82   90.5187      575.662   90.5187      451.664   -89.4813     
1 1 1 -51 3  7  o 11 32.839       1.50173     895.937   -70.8855     1865.12   -70.8855     530.196   -70.8855     
1 1 1 -51 3  8  o 5  49.4123      1.97146     1997.82   -11.7549     1764.96   -11.7549     20.3099   168.245      
1 1 1 -51 3  9  o 2  1.05294      0.421422    282.61    99.2385      ?         ?            ?         ?            
1 1 1 -51 3  10 o 1  31.4924      1.50409     1592.33   -144.551     1514.71   -144.551     34.329    -144.551     
1 1 1 -51 3  11 o 13 2.72313      0.499088    631.071   129.98       329.408   -50.02       450.568   -50.02       
1 1 1 -51 3  12 o 15 2.81161      0.530111    134.448   105.318      30.9545   105.318      45.2237   -74.6822     
1 1 1 -51 3  13 o 6  2.37967      0.463728    306.076   -96.9545     12.4673   -96.9545     131.918   83.0455      
1 1 1 -51 3  14 o 15 0.760638     0.398123    412.023   45.5478      ?         ?            ?         ?            
1 1 1 -51 3  15 o 13 11.8295      0.897614    510.175   -175.483     1194.6    -175.483     363.637   -175.483     
1 1 1 -51 3  16 o 16 15.5145      0.948278    352.501   48.1483      ?         ?            ?         ?            
1 1 1 -51 3  17 o 7  5.37893      0.599331    585.741   -49.2759     ?         ?            ?         ?            
1 1 1 -51 3  18 o 2  0.735971     0.428948    228.166   23.2464      ?         ?            ?         ?            
1 1 1 -51 3  19 o 19 0.291011     0.380701    75.5887   167.358      ?         ?            ?         ?            
1 1 1 -51 3  20 o 7  1.4343       0.416632    275.823   -97.6024     ?         ?            ?         ?            
1 1 1 -51 3  21 o 18 0.627065     0.389751    270.264   -154.263     ?         ?            ?         ?            
1 1 1 -51 5  1  o 12 9.96821      0.779602    901.093   125.867      272.7     125.867      271.922   -54.1333     
1 1 1 -51 5  2  o 16 1.04145      0.440103    439.094   10.7286      ?         ?            ?         ?            
1 1 1 -51 5  3  o 7  24.1169      1.17044     1217.33   95.5457      1052.96   95.5457      24.4417   -84.4543     
1 1 1 -51 5  4  o 8  5.28145      0.73487     701.634   99.6387      606.543   -80.3613     620.994   -80.3613     
1 1 1 -51 5  5  o 17 56.8886      2.44651     1992.44   -130.13      2099.33   -130.13      146.379   -130.13      
1 1 1 -51 5  6  o 17 31.289       1.36134     955.447   33.2462      1959.17   33.2462      545.912   33.2462      
1 1 1 -51 5  7  o 16 62.4315      1.96085     1996.01   148.126      2466.89   148.126      326.99    148.126      
1 1 1 -51 5  8  o 16 28.9271      1.21777     1011.64   -39.4464     1804.53   -39.4464     443.187   -39.4464     
1 1 1 -51 5  9  o 11 6.65752      0.688979    186.846   -88.752      224.691   -88.752      27.7362   -88.752      
1 1 1 -51 5  10 o 9  1.22502      0.424179    242.064   148.618      111.187   -31.3818     164.919   -31.3818     
1 1 1 -51 5  11 o 4  2.79353      0.646096    272.076   28.4584      3.22123   28.4584      121.134   -151.542     
1 1 1 -51 5  12 o 18 0.998583     0.503165    539.791   141.422      474.372   -38.5785     481.387   -38.5785     
1 1 1 -51 5  13 o 17 0.893305     0.534696    885.339   -97.2276     763.002   82.7724      784.898   82.7724      
1 1 1 -51 5  14 o 10 2.86251      0.580679    400.565   19.6688      187.815   19.6688      89.8337   -160.331     
1 1 1 -51 5  15 o 5  1.10045      0.532655    427.776   128.222      ?         ?            ?         ?            
1 1 1 -51 5  16 o 12 9.99742      0.836653    370.568   63.618       ?         ?            ?         ?            
1 1 1 -51 5  17 o 2  1.42357      0.467568    185.666   28.811       ?         ?            ?         ?            
1 1 1 -51 5  18 o 3  0.81173      0.442575    414.824   40.5612      ?         ?            ?         ?            
1 1 1 -51 5  19 o 2  0.739954     0.479075    202.475   64.6882      ?         ?            ?         ?            
1 1 1 -51 5  20 o 5  1.17471      0.412457    172.316   -112.538     ?         ?            ?         ?            
1 1 1 -51 7  1  o 12 16.9099      0.918989    766.6     149.644      1230.99   149.645      269.067   149.645      
1 1 1 -51 7  2  o 9  1.46879      0.48979     109.675   139.407      86.529    -40.5925     92.8507   -40.5925     
1 1 1 -51 7  3  o 5  5.5342       0.74853     585.986   -148.922     49.559    -148.922     240.184   31.0776      
1 1 1 -51 7  4  o 10 6.57587      0.746222    438.277   135.132      439.245   135.132      21.506    135.132      
1 1 1 -51 7  5  o 4  28.7023      1.57929     1016.82   -123.141     1857.82   -123.141     469.56    -123.141     
1 1 1 -51 7  6  o 13 20.6682      1.1419      1751.46   -3.3594      654.263   -3.3594      463.46    176.641      
1 1 1 -51 7  7  o 19 36.6212      1.48392     1467.97   -138.001     1798.15   -138.001     236.817   -138.001     
1 1 1 -51 7  8  o 9  5.47536      0.617535    683.726   -1.99226     124.924   -1.99226     246.114   178.008      
1 1 1 -51 7  9  o 18 8.69812      0.980546    756.249   95.3616      689.407   95.3616      2.62791   95.3616      
1 1 1 -51 7  10 o 18 3.41246      0.780686    508.929   -154.559     108.015   -154.559     177.27    25.4414      
1 1 1 -51 7  11 o 2  2.10959      0.536104    614.094   123.918      39.1735   -56.0822     300.362   -56.0822     
1 1 1 -51 7  12 o 6  0.954187     0.5036      292.216   -2.21999     97.4086   177.78       182.794   177.78       
1 1 1 -51 7  13 o 12 2.65444      0.549972    439.784   -85.2256     237.533   -85.2256     81.7624   94.7744      
1 1 1 -51 7  14 o 4  2.3162       0.556939    437.803   9.74015      ?         ?            ?         ?            
1 1 1 -51 7  15 o 17 3.42685      0.516054    234.137   -93.8293     ?         ?            ?         ?            
1 1 1 -51 7  16 o 4  11.5408      0.722555    617.782   165.406      ?         ?            ?         ?            
1 1 1 -51 7  17 o 15 7.70512      0.746525    552.059   153.205      ?         ?            ?         ?            
1 1 1 -51 7  18 o 9  2.43098      0.751003    413.966   147.671      ?         ?            ?         ?            
1 1 1 -51 7  19 o 16 2.33107      0.490954    325.726   -14.9799     ?         ?            ?         ?            
1 1 1 -51 9  1  o 9  23.2138      1.2526      1237.75   172.032      1441.37   172.032      155.518   172.032      
1 1 1 -51 9  2  o 8  17.1495      1.06665     1238.07   43.6355      947.305   43.6355      91.1064   -136.364     
1 1 1 -51 9  3  o 4  4.80554      0.685321    766.202   -79.4294     243.939   -79.4294     227.47    100.571      
1 1 1 -51 9  4  o 14 -0.594611    0.44479     405.89    90.776       ?         ?            ?         ?            
1 1 1 -51 9  5  o 5  4.51547      0.66289     444.797   -141.87      431.672   -141.87      12.5896   -141.87      
1 1 1 -51 9  6  o 11 13.1989      1.10076     380.849   -42.5066     1310.03   -42.5066     480.665   -42.5066     
1 1 1 -51 9  7  o 15 14.4023      1.19794     527.27    121.067      1396.99   121.067      456.682   121.067      
1 1 1 -51 9  8  o 13 3.67445      0.540839    598.621   -117.587     307.849   -117.587     120.728   62.4132      
1 1 1 -51 9  9  o 3  8.47866      0.74826     851.275   -56.3229     704.025   -56.3229     37.2485   123.677      
1 1 1 -51 9  10 o 8  0.451807     0.556798    249.794   -56.2212     203.438   123.779      214.74    123.779      
1 1 1 -51 9  11 o 12 2.14         0.553963    161.594   53.1571      153.259   53.1571      5.05384   53.1571      
1 1 1 -51 9  12 o 10 0.0852175    0.454238    462.013   -134.608     ?         ?            ?         ?            
1 1 1 -51 9  13 o 18 1.42881      0.501328    206.881   -127.36      ?         ?            ?         ?            
1 1 1 -51 9  14 o 12 2.68157      0.530888    541.145   16.3713      ?         ?            ?         ?            
1 1 1 -51 9  15 o 7  2.46154      0.509212    520.294   -54.5939     ?         ?            ?         ?            
1 1 1 -51 9  16 o 18 1.76651      0.611209    377.587   -127.721     ?         ?            ?         ?            
1 1 1 -51 9  17 o 2  0.544745     0.397181    179.822   -53.4907     ?         ?            ?         ?            
1 1 1 -51 11 1  o 14 3.89238      0.637133    413.545   107.314      499.213   107.314      70.294    107.314      
1 1 1 -51 11 2  o 12 2.39923      0.73324     288.009   -72.3588     204.401   -72.3588     23.2883   107.641      
1 1 1 -51 11 3  o 8  1.92536      0.634613    326.864   143.46       25.7335   143.46       129.693   -36.5402     
1 1 1 -51 11 4  o 1  1.65819      0.535506    595.969   88.2082      19.6825   -91.7918     269.036   -91.7918     
1 1 1 -51 11 5  o 9  2.11495      0.603074    220.629   52.7119      223.741   52.7119      16.5666   52.7119      
1 1 1 -51 11 6  o 6  0.958001     0.581089    423.413   36.2855      103.537   -143.715     232.664   -143.715     
1 1 1 -51 11 7  o 4  2.18362      0.532965    131.27    -137.004     182.906   -137.004     36.2183   -137.004     
1 1 1 -51 11 8  o 3  1.90139      0.563897    366.72    -143.117     227.149   -143.117     37.8893   36.8827      
1 1 1 -51 11 9  o 7  0.684016     0.476816    446.36    27.7024      ?         ?            ?         ?            
1 1 1 -51 11 10 o 4  4.86101      0.63444     550.604   -1.48596     ?         ?            ?         ?            
1 1 1 -51 11 11 o 13 1.35344      0.662883    465.423   -95.2658     ?         ?            ?         ?            
1 1 1 -51 11 12 o 10 3.09144      0.614503    422.264   -133.172     ?         ?            ?         ?            
1 1 1 -51 11 13 o 13 0.998828     0.679917    242.834   54.5862      ?         ?            ?         ?            
1 1 1 -51 11 14 o 14 -0.116185    0.42867     231.767   140.678      ?         ?            ?         ?            
1 1 1 -51 13 1  o 15 0.704523     0.43092     166.269   -62.3707     45.0266   -62.3707     41.3585   117.629      
1 1 1 -51 13 2  o 8  1.30412      0.633776    396.937   -139.02      119.218   -139.02      93.3484   40.9796      
1 1 1 -51 13 3  o 18 1.04587      0.528623    203.302   -123.725     101.056   -123.725     27.8608   56.2753      
1 1 1 -51 13 4  o 3  1.18035      0.526141    403.711   -111.153     ?         ?            ?         ?            
1 1 1 -51 13 5  o 14 0.209483     0.491844    296.912   17.0426      ?         ?            ?         ?            
1 1 1 -51 13 6  o 9  3.13296      0.71341     492.687   110.952      ?         ?            ?         ?            
1 1 1 -51 13 7  o 18 1.68557      0.676746    187.212   110.58       ?         ?            ?         ?            
1 1 1 -51 13 8  o 2  1.04577      0.518529    455.72    -78.4348     ?         ?            ?         ?            
1 1 1 -50 0  1  f 0  195.088      7.55449     2409.85   180          5724      180          1836.98   180          
1 1 1 -50 0  2  o 19 15.083       1.11616     1113.36   0            844.328   0            49.577    180          
1 1 1 -50 0  3  f 0  24.1011      2.39627     1694.79   0            1233.38   0            100.935   180          
1 1 1 -50 0  4  o 5  5.87571      1.55464     528.546   0            118.811   0            164.966   180          
1 1 1 -50 0  5  o 7  -0.2355      0.654226    444.946   0            ?         ?            ?         ?            
1 1 1 -50 0  6  o 11 18.3706      2.90827     1222.37   180          1236.17   180          91.583    180          
1 1 1 -50 0  7  o 17 35.2598      2.14878     852.391   0            2157.54   0            707.394   0            
1 1 1 -50 0  8  o 2  183.549      8.6042      3359.02   180          4514.87   180          774.716   180          
1 1 1 -50 0  9  o 14 0.888238     0.819479    67.5264   0            ?         ?            ?         ?            
1 1 1 -50 0  10 o 11 3.72835      0.710927    474.524   0            9.13429   0            209.753   180          
1 1 1 -50 0  11 o 10 32.4892      2.68115     1064.94   0            2178.41   0            605.769   0            
1 1 1 -50 0  12 o 14 30.87        2.68921     1433.33   0            1781.68   0            240.565   0            
1 1 1 -50 0  13 o 12 32.6758      2.14089     1183.87   180          2106.63   180          518.281   180          
1 1 1 -50 0  14 o 17 5.82757      1.00729     203.678   0            45.8621   0            68.9663   180          
1 1 1 -50 0  15 o 5  4.7183       0.936723    263.271   0            324.061   0            42.5961   0            
1 1 1 -50 0  16 o 7  0.420554     0.557341    199.59    180          147.591   1.67569e-15  165.215   7.4847e-16   
1 1 1 -50 0  17 o 8  0.512385     0.60718     196.007   0            ?         ?            ?         ?            
1 1 1 -50 0  18 o 10 4.6493       0.87072     427.519   180          ?         ?            ?         ?            
1 1 1 -50 0  19 o 8  1.26612      0.853459    368.003   180          ?         ?            ?         ?            
1 1 1 -50 0  20 o 6  0.435393     0.646432    70.5905   0            ?         ?            ?         ?            
1 1 1 -50 0  21 o 14 2.19715      0.605971    136.816   180          ?         ?            ?         ?            
1 1 1 -50 2  1  o 10 32.2139      1.16505     1336.93   56.8005      1681.62   56.8005      265.223   56.8005      
1 1 1 -50 2  2  o 11 119.009      3.63608     3313.58   36.7561      3116.98   36.7561      137.288   36.7561      
1 1 1 -50 2  3  o 17 7.93666      0.970677    1017.23   -30.2458     185.216   -30.2458     343.402   149.754      
1 1 1 -50 2  4  o 8  28.2535      1.47016     1310.24   -113.544     1388.2    -113.544     131.091   -113.544     
1 1 1 -50 2  5  o 8  83.6956      2.99798     2373.95   -136.134     2688.46   -136.134     318.453   -136.134     
1 1 1 -50 2  6  o 19 18.3496      1.01674     1282.68   -3.18764     498.261   -3.18764     309.767   176.812      
1 1 1 -50 2  7  o 3  20.3537      1.13403     1229.93   -109.505     1093.53   -109.505     5.20503   -109.505     
1 1 1 -50 2  8  o 13 20.19        1.08331     1014.14   -136.845     1225.8    -136.845     161.255   -136.845     
1 1 1 -50 2  9  o 13 36.5137      2.06107     1033.64   -87.9897     1883.59   -87.9897     476.694   -87.9897     
1 1 1 -50 2  10 o 13 27.8807      1.49041     1279.48   17.1993      1398.31   17.1993      119.357   17.1993      
1 1 1 -50 2  11 f 0  69.7846      2.35669     1902.23   -136.28      2689.94   -136.28      481.117   -136.28      
1 1 1 -50 2  12 f 0  21.948       1.06532     899.395   66.0867      1517.64   66.0867      351.362   66.0867      
1 1 1 -50 2  13 o 13 7.58142      0.773547    306.875   175.993      480.344   175.993      101.65    175.993      
1 1 1 -50 2  14 o 12 0.329406     0.412928    296.114   -17.2541     229.846   162.746      248.652   162.746      
1 1 1 -50 2  15 f 0  27.8768      1.30981     457.698   48.3296      2203.46   48.3296      893.47    48.3296      
1 1 1 -50 2  16 o 2  11.8049      0.804895    258.713   -69.2223     1174.52   -69.2223     468.576   -69.2223     
1 1 1 -50 2  17 o 3  3.55806      0.584997    261.117   168.491      ?         ?            ?         ?            
1 1 1 -50 2  18 o 3  4.64082      0.593608    521.59    67.1537      ?         ?            ?         ?            
1 1 1 -50 2  19 o 5  0.0865869    0.35397     143.917   164.95       ?         ?            ?         ?            
1 1 1 -50 2  20 o 16 4.34655      0.555393    97.0675   166.197      ?         ?            ?         ?            
1 1 1 -50 2  21 o 15 1.32627      0.465123    379.653   -174.259     ?         ?            ?         ?            
1 1 1 -50 4  1  o 12 47.4891      2.37877     1848.5    163.131      1877.53   163.131      117.475   163.131      
1 1 1 -50 4  2  f 0  33.936       1.72339     910.354   2.58926      2036.48   2.58926      614.885   2.58926      
1 1 1 -50 4  3  o 18 10.5612      0.916915    1080.91   -78.7656     123.734   -78.7656     416.822   101.234      
1 1 1 -50 4  4  o 7  59.1341      2.80584     2220.63   -116.735     2147.64   -116.735     88.5674   -116.735     
1 1 1 -50 4  5  o 9  66.7839      2.27031     2217.51   75.5515      2435.02   75.5515      229.75    75.5515      
1 1 1 -50 4  6  o 8  43.6041      1.6455      1587.48   -174.976     1799.6    -174.976     188.825   -174.976     
1 1 1 -50 4  7  o 12 1.91987      0.42597     352.432   103.261      ?         ?            ?         ?            
1 1 1 -50 4  8  o 2  17.9338      0.935781    1038.42   137.907      1139.26   137.907      99.445    137.907      
1 1 1 -50 4  9  o 8  42.4168      1.56459     1186.65   77.2397      2330.88   77.2397      626.663   77.2397      
1 1 1 -50 4  10 o 18 6.8732       0.564695    652.966   -30.5303     417.966   -30.5303     87.3678   149.47       
1 1 1 -50 4  11 o 15 13.5623      0.86881     1353.09   -78.2745     662.004   -78.2745     281.312   101.726      
1 1 1 -50 4  12 o 17 2.57062      0.538329    962.082   -131.762     268.68    48.2378      568.472   48.2378      
1 1 1 -50 4  13 o 8  1.28131      0.51889     586.774   157.366      ?         ?            ?         ?            
1 1 1 -50 4  14 o 4  2.80806      0.715939    446.194   174.986      135.566   174.986      135.189   -5.01369     
1 1 1 -50 4  15 o 7  3.42844      0.502321    286.925   -69.5034     304.111   -69.5034     20.4821   -69.5034     
1 1 1 -50 4  16 o 7  5.08345      0.602866    418.778   157.565      ?         ?            ?         ?            
1 1 1 -50 4  17 o 1  3.25771      0.581344    232.63    98.4221      ?         ?            ?         ?            
1 1 1 -50 4  18 o 11 4.99957      0.585073    233.818   -2.90855     ?         ?            ?         ?            
1 1 1 -50 4  19 o 16 2.7919       0.509663    373.34    48.491       ?         ?            ?         ?            
1 1 1 -50 4  20 o 8  2.34314      0.51427     237.377   -80.1528     ?         ?            ?         ?            
1 1 1 -50 4  21 o 1  1.83864      0.421061    303.193   -148.589     ?         ?            ?         ?            
1 1 1 -50 6  1  o 14 6.66815      0.697022    210.617   -68.9196     167.059   -68.9196     12.109    111.08       
1 1 1 -50 6  2  o 16 6.40466      0.586006    337.134   27.7603      289.28    27.7603      8.41522   -152.24      
1 1 1 -50 6  3  o 2  1.60985      0.506781    552.311   -84.8922     392.592   95.1078      447.027   95.1078      
1 1 1 -50 6  4  o 11 23.4053      1.32555     1685.07   -175.506     921.237   -175.506     304.476   4.49378      
1 1 1 -50 6  5  o 1  34.0027      1.3386      1774.34   33.2954      1414.31   33.2954      98.6265   -146.705     
1 1 1 -50 6  6  o 12 9.84211      0.681071    1051.35   162.296      511.465   162.296      221.631   -17.7041     
1 1 1 -50 6  7  o 5  2.41786      0.435379    750.619   173.94       264.495   -6.06042     472.74    -6.06042     
1 1 1 -50 6  8  o 16 30.1713      1.37378     1153.52   140.031      1784.91   140.031      370.178   140.031      
1 1 1 -50 6  9  o 9  22.6115      1.08633     766.53    -47.9931     1638.13   -47.9931     472.798   -47.9931     
1 1 1 -50 6  10 o 1  10.5579      0.799117    386.167   97.7534      863.681   97.7534      257.629   97.7534      
1 1 1 -50 6  11 o 16 8.53498      0.800283    884.725   71.6072      610.537   71.6072      94.4765   -108.393     
1 1 1 -50 6  12 o 11 16.711       1.33024     733.293   -56.7262     1393.56   -56.7262     363.599   -56.7262     
1 1 1 -50 6  13 o 7  2.22846      0.520623    663.957   68.6542      127.756   -111.346     367.822   -111.346     
1 1 1 -50 6  14 o 15 8.57576      0.722968    341.799   -69.0834     965.148   -69.0834     325.872   -69.0834     
1 1 1 -50 6  15 f 0  4.11566      0.550355    575.117   -85.228      ?         ?            ?         ?            
1 1 1 -50 6  16 o 17 3.59607      0.605922    308.845   -78.8859     ?         ?            ?         ?            
1 1 1 -50 6  17 o 8  0.647083     0.453332    445.005   37.1328      ?         ?            ?         ?            
1 1 1 -50 6  18 o 2  0.229303     0.385472    258.08    125.015      ?         ?            ?         ?            
1 1 1 -50 6  19 o 3  1.12884      0.438516    112.069   18.825       ?         ?            ?         ?            
1 1 1 -50 6  20 o 5  2.87741      0.602014    292.265   -65.7276     ?         ?            ?         ?            
1 1 1 -50 8  1  f 0  18.7495      1.096       893.474   68.6143      1355.42   68.6143      274.627   68.6143      
1 1 1 -50 8  2  o 18 5.9672       0.655057    994.718   166.882      127.228   166.882      385.13    -13.1179     
1 1 1 -50 8  3  o 10 10.5036      0.971762    593.115   20.4505      922.342   20.4505      193.601   20.4505      
1 1 1 -50 8  4  o 10 5.5829       0.679118    1098.52   138.843      45.8345   -41.1571     518.492   -41.1571     
1 1 1 -50 8  5  o 8  13.3316      1.20945     446.123   27.5285      1162.53   27.5285      379.976   27.5285      
1 1 1 -50 8  6  o 6  42.2071      1.94084     1617.36   114.172      2048.87   114.172      294.246   114.172      
1 1 1 -50 8  7  o 8  7.58877      0.736975    1037.13   -9.76493     405.831   -9.76493     266.046   170.235      
1 1 1 -50 8  8  o 3  5.70388      0.949357    379.016   26.5077      515.345   26.5077      85.7742   26.5077      
1 1 1 -50 8  9  o 11 21.1791      1.1702      894.764   6.92792      1583.35   6.92792      384.01    6.92792      
1 1 1 -50 8  10 o 12 5.31031      0.584446    679.621   115.758      328.291   115.758      147.043   -64.2424     
1 1 1 -50 8  11 o 7  6.12157      0.675876    417.846   19.0683      692.694   19.0683      154.625   19.0683      
1 1 1 -50 8  12 o 4  9.46082      0.807149    182.791   156.035      935.998   156.035      384.693   156.035      
1 1 1 -50 8  13 o 4  10.8761      0.809018    500.409   90.3096      ?         ?            ?         ?            
1 1 1 -50 8  14 f 0  1.18708      0.489336    309.194   -168.215     ?         ?            ?         ?            
1 1 1 -50 8  15 o 1  2.08019      0.479867    503.829   -123.15      ?         ?            ?         ?            
1 1 1 -50 8  16 o 14 0.00742756   0.382907    294.446   -61.5364     ?         ?            ?         ?            
1 1 1 -50 8  17 o 19 0.611805     0.443205    209.109   -157.738     ?         ?            ?         ?            
1 1 1 -50 8  18 o 9  0.915471     0.536344    317.055   -93.8336     ?         ?            ?         ?            
1 1 1 -50 10 1  o 8  0.269766     0.53103     433.079   -67.4688     ?         ?            ?         ?            
1 1 1 -50 10 2  o 7  0.889393     0.479892    304.156   175.915      127.486   -4.085       203.294   -4.085       
1 1 1 -50 10 3  o 13 0.400974     0.477443    465.268   48.7063      316.952   -131.294     371.954   -131.294     
1 1 1 -50 10 4  o 12 2.68182      0.628949    428.019   178.225      219.974   178.225      86.369    -1.77476     
1 1 1 -50 10 5  o 2  5.61209      0.89145     462.356   58.1729      627.715   58.1729      101.892   58.1729      
1 1 1 -50 10 6  o 15 11.8767      0.952746    907.459   83.2274      950.625   83.2274      60.1071   83.2274      
1 1 1 -50 10 7  o 7  1.92927      0.54622     271.217   -142.734     115.996   -142.734     65.5231   37.2663      
1 1 1 -50 10 8  o 11 0.22879      0.452242    174.309   -65.9001     112.013   114.1        134.659   114.1        
1 1 1 -50 10 9  o 15 1.44898      0.627607    278.957   -105.597     47.8656   -105.597     99.9211   74.4027      
1 1 1 -50 10 10 o 16 3.46265      0.555024    401.196   -13.5448     472.874   -13.5448     62.6221   -13.5448     
1 1 1 -50 10 11 o 16 2.30766      0.527291    281.336   103.487      ?         ?            ?         ?            
1 1 1 -50 10 12 o 16 0.378316     0.478808    223.504   -155.358     ?         ?            ?         ?            
1 1 1 -50 10 13 f 0  0.875841     0.455091    369.186   -75.5921     ?         ?            ?         ?            
1 1 1 -50 10 14 o 1  0.597207     0.416678    215.033   -136.024     ?         ?            ?         ?            
1 1 1 -50 10 15 o 6  0.585293     0.551351    183.25    61.4501      ?         ?            ?         ?            
1 1 1 -50 10 16 o 6  0.897324     0.431331    69.5461   -4.99647     ?         ?            ?         ?            
1 1 1 -50 12 1  o 4  2.24281      0.622884    599.466   -145.805     194.864   -145.805     145.927   34.1953      
1 1 1 -50 12 2  o 4  2.22416      0.580244    70.3171   32.1385      130.675   32.1385      36.6795   32.1385      
1 1 1 -50 12 3  o 7  0.543597     0.486656    93.5991   -159.462     17.4071   20.5382      46.8763   20.5382      
1 1 1 -50 12 4  o 6  2.07623      0.609927    179.343   -153.359     249.55    -153.359     51.8241   -153.359     
1 1 1 -50 12 5  o 18 1.88925      0.635173    198.513   -161.353     228.167   -161.353     33.7865   -161.353     
1 1 1 -50 12 6  o 18 0.641963     0.472164    250.658   -112.173     82.6932   67.8266      141.949   67.8266      
1 1 1 -50 12 7  o 3  1.80934      0.548186    411.074   46.2165      ?         ?            ?         ?            
1 1 1 -50 12 8  o 19 1.29949      0.492967    201.451   167.344      ?         ?            ?         ?            
1 1 1 -50 12 9  o 1  0.709492     0.524911    371.915   -140.906     ?         ?            ?         ?            
1 1 1 -50 12 10 o 9  0.870884     0.495721    272.801   50.7374      ?         ?            ?         ?            
1 1 1 -50 12 11 o 2  0.646626     0.481927    293.833   -32.5107     ?         ?            ?         ?            
1 1 1 -50 12 12 o 17 2.88433      0.652689    315.642   -65.4504     ?         ?            ?         ?            
1 1 1 -49 1  1  o 1  1.33522      0.450863    806.757   170.22       ?         ?            ?         ?            
1 1 1 -49 1  2  o 5  13.3229      1.3347      652.687   156.36       540.969   -23.6398     543.787   -23.6398     
1 1 1 -49 1  3  o 6  14.4394      1.42221     1162.29   68.6348      526.355   68.6348      223.281   -111.365     
1 1 1 -49 1  4  o 13 8.58727      1.19328     1004.87   64.9995      287.97    -115         565.668   -115         
1 1 1 -49 1  5  o 7  4.51997      0.765614    613.706   93.9025      ?         ?            ?         ?            
1 1 1 -49 1  6  f 0  27.3723      1.32929     846.339   -71.8541     1731.08   -71.8541     505.047   -71.8541     
1 1 1 -49 1  7  o 6  14.6655      0.905212    588.935   46.1145      669.546   46.1145      80.8535   46.1145      
1 1 1 -49 1  8  o 15 44.4134      2.02827     1292.97   -80.862      2169.48   -80.862      519.19    -80.862      
1 1 1 -49 1  9  f 0  19.8121      1.56362     956.489   150.881      1162.6    150.881      156.632   150.881      
1 1 1 -49 1  10 o 1  57.5537      2.56042     2091      -105.14      2188.72   -105.14      153.948   -105.14      
1 1 1 -49 1  11 o 6  35.2171      1.91634     1033.81   13.4815      1969.85   13.4815      516.254   13.4815      
1 1 1 -49 1  12 o 15 46.5094      2.05025     1593.96   152.326      2172.27   152.326      362.413   152.326      
1 1 1 -49 1  13 o 19 8.23115      0.702984    450.989   116.68       586.503   116.68       89.1776   116.68       
1 1 1 -49 1  14 o 6  8.53293      0.709507    796.692   -83.2748     653.042   -83.2748     32.8952   96.7252      
1 1 1 -49 1  15 o 6  23.5881      1.12313     23.5634   96.2191      266.783   96.2191      122.724   96.2191      
1 1 1 -49 1  16 o 4  5.5337       0.55499     99.1795   -123.892     242.305   -123.892     75.812    -123.892     
1 1 1 -49 1  17 o 11 2.95448      0.482214    632.013   158.446      ?         ?            ?         ?            
1 1 1 -49 1  18 o 13 2.42843      0.64593     243.962   177.502      ?         ?            ?         ?            
1 1 1 -49 1  19 o 2  1.50226      0.473692    232.156   -32.7647     ?         ?            ?         ?            
1 1 1 -49 1  20 o 14 7.36018      0.653344    678.567   -134.532     ?         ?            ?         ?            
1 1 1 -49 1  21 o 16 0.855786     0.486711    279.827   45.6688      ?         ?            ?         ?            
1 1 1 -49 1  22 o 1  1.88869      0.429374    229.124   -168.108     ?         ?            ?         ?            
1 1 1 -49 3  1  o 14 11.7066      0.881135    1215.98   106.66       547.037   106.66       250.041   -73.3402     
1 1 1 -49 3  2  o 2  10.2152      0.847945    781.292   173.82       545.412   173.82       62.4783   -6.18038     
1 1 1 -49 3  3  o 4  92.2029      2.99039     2393.79   75.9758      3152.44   75.9758      549.747   75.9758      
1 1 1 -49 3  4  o 1  62.1003      2.30765     1863.67   76.9205      2434.37   76.9205      415.894   76.9205      
1 1 1 -49 3  5  o 16 22.02        0.98729     1148.64   -63.5559     1122.43   -63.5559     64.5212   -63.5559     
1 1 1 -49 3  6  o 18 24.8221      2.2662      1170.06   -101.306     1350.33   -101.306     164.9     -101.306     
1 1 1 -49 3  7  o 3  11.5136      0.755896    1215.19   -39.1534     486.7     -39.1534     292.209   140.847      
1 1 1 -49 3  8  o 8  29.5118      1.46402     1747.24   156.319      1135.69   156.319      210.948   -23.681      
1 1 1 -49 3  9  o 6  35.1306      1.29828     916.27    -82.0977     2106.6    -82.0977     640.742   -82.0977     
1 1 1 -49 3  10 o 9  25.4291      1.11903     1398.55   153.818      1318.87   153.818      25.4827   153.818      
1 1 1 -49 3  11 o 14 28.6545      1.31408     1641.01   23.2297      1335.57   23.2297      77.4119   -156.77      
1 1 1 -49 3  12 o 7  8.77261      0.698931    532.734   -179.745     479.09    -179.745     1.74149   0.254869     
1 1 1 -49 3  13 o 8  2.75921      0.536229    363.424   -110.518     125.276   69.482       226.661   69.482       
1 1 1 -49 3  14 o 5  3.98834      0.600684    464.853   -126.784     186.645   -126.784     116.669   53.2156      
1 1 1 -49 3  15 f 0  5.59831      0.756342    236.694   41.6133      434.532   41.6133      109.498   41.6133      
1 1 1 -49 3  16 o 12 2.07096      0.547271    458.745   -168.972     70.7924   11.0279      245.879   11.0279      
1 1 1 -49 3  17 o 6  3.05844      0.506387    231.53    74.1586      ?         ?            ?         ?            
1 1 1 -49 3  18 o 9  6.7816       0.597492    397.822   -167.415     ?         ?            ?         ?            
1 1 1 -49 3  19 o 5  0.0133043    0.353175    139.163   -47.9317     ?         ?            ?         ?            
1 1 1 -49 3  20 o 13 3.14326      0.5215      59.1677   -38.8964     ?         ?            ?         ?            
1 1 1 -49 3  21 o 9  6.03478      0.606051    416.503   43.2032      ?         ?            ?         ?            
1 1 1 -49 5  1  o 7  24.8423      1.34595     1097.22   2.69494      1503.33   2.69494      260.357   2.69494      
1 1 1 -49 5  2  o 2  12.0415      1.21158     293.557   104.387      517.299   104.387      127.485   104.387      
1 1 1 -49 5  3  o 10 13.596       1.07274     1516.19   -129.671     172.496   -129.671     591.001   50.3293      
1 1 1 -49 5  4  f 0  57.4724      2.04483     2148.45   -12.177      2040.84   -12.177      59.2047   -12.177      
1 1 1 -49 5  5  o 14 3.12938      0.494578    677.806   119.631      ?         ?            ?         ?            
1 1 1 -49 5  6  o 17 6.76276      0.577525    1229.25   -76.1348     306.48    103.865      707.281   103.865      
1 1 1 -49 5  7  f 0  38.5365      1.45632     1699.45   -120.797     1731.32   -120.797     96.5499   -120.797     
1 1 1 -49 5  8  o 3  4.51475      0.603694    400.034   133.2        43.4317   133.2        159.837   -46.7995     
1 1 1 -49 5  9  o 3  45.2018      1.72702     1688.28   89.7452      2024.91   89.7452      245.843   89.7452      
1 1 1 -49 5  10 o 8  14.7477      0.902258    536.677   -44.4684     1126.78   -44.4684     320.177   -44.4684     
1 1 1 -49 5  11 o 4  9.26469      0.775998    535.006   -22.1702     575.578   -22.1702     46.0968   -22.1702     
1 1 1 -49 5  12 o 13 16.1603      0.844774    837.609   26.2001      1252.21   26.2001      248.219   26.2001      
1 1 1 -49 5  13 o 14 1.39035      0.535295    329.954   79.7694      96.6067   -100.231     197.702   -100.231     
1 1 1 -49 5  14 o 9  3.28472      0.498896    606.387   -147.203     138.335   -147.203     207.687   32.797       
1 1 1 -49 5  15 o 13 11.5775      0.830144    777.132   -29.4695     1016.87   -29.4695     151.856   -29.4695     
1 1 1 -49 5  16 o 1  2.21198      0.59995     723.036   -128.857     ?         ?            ?         ?            
1 1 1 -49 5  17 o 16 1.33446      0.43169     630.073   -120.537     ?         ?            ?         ?            
1 1 1 -49 5  18 o 13 7.64146      0.698308    386.375   140.399      ?         ?            ?         ?            
1 1 1 -49 5  19 o 19 1.45616      0.544178    205.913   158.734      ?         ?            ?         ?            
1 1 1 -49 5  20 o 12 2.45108      0.494791    467.176   116.973      ?         ?            ?         ?            
1 1 1 -49 7  1  o 18 6.62926      0.708896    533.465   -14.6357     388.248   -14.6357     47.8707   165.364      
1 1 1 -49 7  2  o 8  13.4642      1.0095      867.175   58.3287      957.113   58.3287      85.0412   58.3287      
1 1 1 -49 7  3  o 19 3.77255      0.738731    820.03    98.1686      463.167   -81.8314     603.721   -81.8314     
1 1 1 -49 7  4  o 12 37.2104      1.60972     1080.44   -42.7756     2200.18   -42.7756     609.897   -42.7756     
1 1 1 -49 7  5  o 12 27.866       1.19276     1138.55   149.707      1649.28   149.707      308.414   149.707      
1 1 1 -49 7  6  f 0  8.24701      0.656723    890.546   -25.7068     422.711   -25.7068     191.964   154.293      
1 1 1 -49 7  7  o 2  4.80697      0.561375    770.279   -44.7236     168.931   -44.7236     263.829   135.276      
1 1 1 -49 7  8  o 4  22.1744      1.05746     193.637   -98.145      998.838   -98.145      412.005   -98.145      
1 1 1 -49 7  9  o 19 7.15829      0.632424    379.956   72.1208      583.67    72.1208      120.424   72.1208      
1 1 1 -49 7  10 o 7  2.35531      0.643364    145.485   -173.897     1.26458   -173.897     65.113    6.1028       
1 1 1 -49 7  11 o 8  10.7678      1.01233     580.853   -109.063     965.642   -109.063     219.02    -109.063     
1 1 1 -49 7  12 o 13 27.7542      1.32803     1056.56   27.1137      1840.35   27.1137      436.984   27.1137      
1 1 1 -49 7  13 f 0  6.35045      0.695494    567.921   -159.461     668.414   -159.461     73.6308   -159.461     
1 1 1 -49 7  14 o 2  2.82574      0.561525    268.348   58.2059      295.991   58.2059      26.1363   58.2059      
1 1 1 -49 7  15 o 16 2.56001      0.488928    603.907   38.0931      ?         ?            ?         ?            
1 1 1 -49 7  16 o 16 2.57714      0.460223    329.437   -18.5239     ?         ?            ?         ?            
1 1 1 -49 7  17 o 14 4.04015      0.528824    460.783   -11.1401     ?         ?            ?         ?            
1 1 1 -49 7  18 o 7  0.779448     0.418351    49.9152   54.3144      ?         ?            ?         ?            
1 1 1 -49 7  19 o 13 1.61568      0.746015    272.474   125.295      ?         ?            ?         ?            
1 1 1 -49 9  1  o 9  3.13913      0.538333    272.924   -26.43       160.063   -26.43       43.6578   153.57       
1 1 1 -49 9  2  o 7  7.98397      0.775442    784.698   -44.1127     606.292   -44.1127     52.2063   135.887      
1 1 1 -49 9  3  o 14 3.92563      0.856774    277.641   139.907      154.56    139.907      48.4383   -40.093      
1 1 1 -49 9  4  o 4  3.37624      0.633064    663.943   -121.122     140.243   -121.122     230.684   58.8783      
1 1 1 -49 9  5  o 4  9.3163       0.851304    966.617   100.71       646.99    100.71       115.01    -79.2895     
1 1 1 -49 9  6  o 18 5.58928      0.658356    669.665   -55.5256     473.869   -55.5256     67.5282   124.474      
1 1 1 -49 9  7  o 1  3.15683      0.636876    562.784   73.7099      148.762   73.7099      182.286   -106.29      
1 1 1 -49 9  8  o 17 0.478861     0.598494    519.251   -95.1634     468.11    84.8366      471.71    84.8366      
1 1 1 -49 9  9  o 13 8.09503      0.72146     392.409   151.58       700.124   151.58       170.018   151.58       
1 1 1 -49 9  10 o 19 9.14958      0.861878    428.497   86.7586      984.477   86.7586      295.979   86.7586      
1 1 1 -49 9  11 o 13 2.21809      0.526234    147.624   176.999      128.066   176.999      2.86879   -3.00104     
1 1 1 -49 9  12 o 3  4.1743       0.599831    774.539   -10.719      291.35    -10.719      197.024   169.281      
1 1 1 -49 9  13 o 2  3.63624      0.549339    481.921   127.667      ?         ?            ?         ?            
1 1 1 -49 9  14 o 10 0.283775     0.419291    357.162   147.167      ?         ?            ?         ?            
1 1 1 -49 9  15 o 15 3.43339      0.545866    336.753   43.5413      ?         ?            ?         ?            
1 1 1 -49 9  16 o 9  1.57355      0.5371      431.207   108.61       ?         ?            ?         ?            
1 1 1 -49 9  17 o 19 1.69484      0.554401    297.244   169.628      ?         ?            ?         ?            
1 1 1 -49 11 1  o 9  0.544664     0.47962     35.7534   -154.896     20.8268   25.1042      26.4323   25.1042      
1 1 1 -49 11 2  o 16 3.83945      0.613022    12.6056   83.0997      34.2703   83.0997      11.4698   83.0997      
1 1 1 -49 11 3  o 3  3.62117      0.591149    262.175   29.1395      416.24    29.1395      90.2446   29.1395      
1 1 1 -49 11 4  o 9  2.56382      0.876357    461.318   -142.207     202.47    -142.207     105.712   37.7932      
1 1 1 -49 11 5  o 8  5.13732      0.904231    581.414   -132.258     560.198   -132.258     20.6466   -132.258     
1 1 1 -49 11 6  o 15 1.36938      0.589888    216.067   166.603      28.7763   166.603      81.1593   -13.3971     
1 1 1 -49 11 7  o 8  2.66804      0.60601     371.882   56.6489      329.978   56.6489      2.79649   56.6489      
1 1 1 -49 11 8  o 2  3.04623      0.609314    181.21    107.545      330.99    107.545      87.96     107.545      
1 1 1 -49 11 9  o 12 5.72536      0.649842    418.401   -139.609     804.82    -139.609     227.583   -139.609     
1 1 1 -49 11 10 o 18 3.13684      0.578444    106.753   -143.654     ?         ?            ?         ?            
1 1 1 -49 11 11 f 0  0.732656     0.541842    291.936   111.414      ?         ?            ?         ?            
1 1 1 -49 11 12 o 6  1.02929      0.441657    195.949   152.259      ?         ?            ?         ?            
1 1 1 -49 11 13 o 11 3.20821      0.56591     506.63    157.193      ?         ?            ?         ?            
1 1 1 -49 11 14 o 10 0.365981     0.576866    321.741   -17.3476     ?         ?            ?         ?            
1 1 1 -49 13 1  o 7  0.197435     0.531714    298.568   84.7154      122.287   -95.2846     177.918   -95.2846     
1 1 1 -49 13 2  o 18 0.229451     0.575982    315.894   48.1917      89.8565   -131.808     168.668   -131.808     
1 1 1 -49 13 3  o 7  2.08647      0.500745    543.125   30.6275      261.084   30.6275      82.2496   -149.373     
1 1 1 -49 13 4  o 1  0.586123     0.50643     336.756   90.1478      58.2245   -89.8522     160.903   -89.8522     
1 1 1 -49 13 5  o 17 0.263326     0.514564    307.185   148.836      ?         ?            ?         ?            
1 1 1 -49 13 6  o 12 0.968958     0.494794    446.299   -50.8501     ?         ?            ?         ?            
1 1 1 -49 13 7  o 6  1.91107      0.551701    381.976   56.1676      ?         ?            ?         ?            
1 1 1 -49 13 8  o 10 0.330005     0.455648    219.598   125.632      ?         ?            ?         ?            
1 1 1 -49 13 9  o 3  0.29457      0.534112    170.209   133.582      ?         ?            ?         ?            
1 1 1 -49 13 10 f 0  0.834755     0.462241    142.823   127.841      ?         ?            ?         ?            
1 1 1 -48 0  1  o 12 0.68749      0.877989    233.014   0            188.024   180          190.298   180          
1 1 1 -48 0  2  o 12 20.2811      3.13822     1318.39   0            1299.67   0            106.705   0            
1 1 1 -48 0  3  o 4  0.775783     0.630692    819.676   180          ?         ?            ?         ?            
1 1 1 -48 0  4  o 8  18.9701      1.592       1500.98   0            982.291   0            128.576   180          
1 1 1 -48 0  5  < 18 -2.10572     0.277604    243.054   0            ?         ?            ?         ?            
1 1 1 -48 0  6  o 9  8.41686      1.07755     765.706   180          332.93    180          154.209   2.21654e-14  
1 1 1 -48 0  7  o 19 1.83162      0.667756    81.1612   180          ?         ?            ?         ?            
1 1 1 -48 0  8  o 16 3.04242      0.75242     112.009   0            20.5653   180          58.5175   180          
1 1 1 -48 0  9  o 10 44.2892      2.52477     1540.8    0            2318.66   0            484.121   0            
1 1 1 -48 0  10 o 8  43.0664      2.55935     1631.56   0            ?         ?            ?         ?            
1 1 1 -48 0  11 o 4  7.57592      0.93443     988.067   180          211.189   180          340.401   1.137e-14    
1 1 1 -48 0  12 o 9  6.92595      0.898412    581.827   180          468.531   180          29.8942   1.16989e-13  
1 1 1 -48 0  13 o 19 40.0923      2.21143     1243.78   0            2384.46   0            628.278   0            
1 1 1 -48 0  14 o 2  4.64154      0.791003    385.868   0            273.933   0            37.2601   180          
1 1 1 -48 0  15 o 13 5.25977      0.868592    486.674   180          395.266   180          22.1607   1.32169e-13  
1 1 1 -48 0  16 o 17 31.9723      2.14819     1149.56   0            2066.42   0            509.642   0            
1 1 1 -48 0  17 o 15 30.306       2.45189     514.342   180          2560.27   180          1044.12   180          
1 1 1 -48 0  18 o 14 4.71492      0.827602    119.573   0            ?         ?            ?         ?            
1 1 1 -48 0  19 o 14 0.781899     0.558372    106.331   0            ?         ?            ?         ?            
1 1 1 -48 0  20 f 0  4.58206      2.08527     431.409   0            ?         ?            ?         ?            
1 1 1 -48 0  21 o 3  0.879392     0.558309    309.083   180          ?         ?            ?         ?            
1 1 1 -48 0  22 o 18 5.2344       0.754796    146.586   0            ?         ?            ?         ?            
1 1 1 -48 2  1  o 16 1.63879      0.639436    754.487   -97.4959     619.53    82.5042      625.074   82.5042      
1 1 1 -48 2  2  o 18 32.7436      1.42445     1728.75   -142.429     1405.37   -142.429     17.3719   37.571       
1 1 1 -48 2  3  o 15 7.7295       0.939125    665.271   38.0516      320.914   38.0516      116.56    -141.948     
1 1 1 -48 2  4  o 11 54.7559      2.16214     1467.01   67.7331      2660.66   67.7331      717.802   67.7331      
1 1 1 -48 2  5  o 7  27.7937      1.61205     1069.88   59.6345      1701.83   59.6345      401.562   59.6345      
1 1 1 -48 2  6  o 14 1.37858      0.375087    407.347   147.472      ?         ?            ?         ?            
1 1 1 -48 2  7  o 14 5.48477      0.539599    1346.86   178.873      183.314   -1.12689     669.703   -1.12689     
1 1 1 -48 2  8  o 8  48.1837      1.71121     2877.44   34.9127      1205.76   34.9128      650.652   -145.087     
1 1 1 -48 2  9  o 1  19.5824      1.13757     794.474   116.453      1190.81   116.453      243.787   116.453      
1 1 1 -48 2  10 o 18 24.5246      1.16038     1481.17   31.069       1208.81   31.069       60.3935   -148.931     
1 1 1 -48 2  11 o 11 42.995       1.66115     1297.02   -131.108     2198.61   -131.108     511.776   -131.108     
1 1 1 -48 2  12 o 19 27.0967      1.29427     1401.41   -1.36487     1339.56   -1.36487     33.3875   -1.36487     
1 1 1 -48 2  13 o 7  7.78498      0.787768    722.205   -83.2011     539.171   -83.2011     57.3712   96.7989      
1 1 1 -48 2  14 o 14 0.909753     0.390034    122.792   141.008      80.0095   -38.992      95.4054   -38.992      
1 1 1 -48 2  15 o 2  22.775       1.10594     590.821   -93.8265     1852.79   -93.8265     659.084   -93.8265     
1 1 1 -48 2  16 o 2  18.2074      0.96643     677.561   124.594      1553.74   124.594      467.341   124.594      
1 1 1 -48 2  17 o 8  1.9044       0.544712    508.785   -103.106     ?         ?            ?         ?            
1 1 1 -48 2  18 f 0  11.2284      0.832323    643.94    -42.3534     ?         ?            ?         ?            
1 1 1 -48 2  19 o 1  0.487413     0.378291    59.9841   -79.1124     ?         ?            ?         ?            
1 1 1 -48 2  20 o 5  0.528598     0.356029    426.952   -1.19653     ?         ?            ?         ?            
1 1 1 -48 2  21 o 6  8.73066      0.692705    523.232   -40.8552     ?         ?            ?         ?            
1 1 1 -48 2  22 f 0  2.02343      0.594267    342.014   -112.038     ?         ?            ?         ?            
1 1 1 -48 4  1  o 13 9.83931      0.993502    586.466   -38.6966     ?         ?            ?         ?            
1 1 1 -48 4  2  o 14 13.6062      0.78109     381.484   -41.8537     550.138   -41.8537     110.337   -41.8537     
1 1 1 -48 4  3  o 19 15.9126      0.880024    469.224   86.3843      943.808   86.3843      269.345   86.3843      
1 1 1 -48 4  4  o 10 51.8487      2.02081     1795.8    103.037      2237.3    103.037      341.282   103.037      
1 1 1 -48 4  5  o 14 0.882729     0.373383    510.066   165.153      369.428   -14.8473     406.77    -14.8473     
1 1 1 -48 4  6  o 12 7.07345      0.623659    634.16    -17.786      69.6614   162.214      313.183   162.214      
1 1 1 -48 4  7  o 10 26.0958      1.21749     1279.93   56.3104      1342.59   56.3104      103.916   56.3104      
1 1 1 -48 4  8  o 5  14.3936      0.798417    1480.88   -63.5296     187.289   -63.5296     569.51    116.47       
1 1 1 -48 4  9  o 15 10.2433      0.753465    1303.5    -130.493     326.674   -130.493     425.365   49.5068      
1 1 1 -48 4  10 o 14 4.68385      0.606197    498.967   -167.352     11.0637   -167.352     220.915   12.6478      
1 1 1 -48 4  11 o 18 29.5191      1.36217     1043.28   149.723      1833.35   149.723      443.112   149.723      
1 1 1 -48 4  12 o 8  1.37632      0.417956    499.473   165.501      ?         ?            ?         ?            
1 1 1 -48 4  13 o 10 7.17554      0.610711    617.869   -79.4172     572.384   -79.4172     7.43999   -79.4172     
1 1 1 -48 4  14 o 9  18.2281      0.971601    1019.44   19.5695      1266.99   19.5695      172.369   19.5695      
1 1 1 -48 4  15 o 2  3.75934      0.740618    402.35    -178.986     237.834   -178.986     64.6868   1.01364      
1 1 1 -48 4  16 o 8  8.14678      0.756948    396.374   1.34162      906.236   1.34162      271.256   1.34162      
1 1 1 -48 4  17 o 18 14.4339      1.07283     523.325   -140.165     ?         ?            ?         ?            
1 1 1 -48 4  18 o 14 3.70464      0.494722    389.831   -53.8898     ?         ?            ?         ?            
1 1 1 -48 4  19 o 15 3.98088      0.532804    379.173   -132.901     ?         ?            ?         ?            
1 1 1 -48 4  20 o 4  1.68761      0.457792    519.041   78.1637      ?         ?            ?         ?            
1 1 1 -48 4  21 o 6  0.358431     0.338635    168.168   -79.0456     ?         ?            ?         ?            
1 1 1 -48 6  1  f 0  19.8498      1.50769     1154.28   -102.333     731.94    -102.333     155.288   77.6668      
1 1 1 -48 6  2  o 4  2.91587      0.735433    130.492   -136.876     ?         ?            ?         ?            
1 1 1 -48 6  3  o 13 10.779       0.790634    624.997   -74.0205     602.99    -74.0205     19.6484   -74.0205     
1 1 1 -48 6  4  o 11 11.0752      0.763615    1022.25   61.1479      299.534   61.1479      311.716   -118.852     
1 1 1 -48 6  5  o 2  20.227       1.0581      1349.78   -76.8292     1035.25   -76.8292     92.9072   103.171      
1 1 1 -48 6  6  o 17 1.84011      0.40939     528.265   87.9985      ?         ?            ?         ?            
1 1 1 -48 6  7  o 2  10.0925      0.692981    151.114   108.701      306.281   108.701      84.5333   108.701      
1 1 1 -48 6  8  o 16 60.032       2.09328     2165.95   -21.022      2098.81   -21.022      65.9436   -21.022      
1 1 1 -48 6  9  o 18 18.844       0.967076    1207.19   -116.651     1089.53   -116.651     2.42682   63.349       
1 1 1 -48 6  10 o 5  14.552       0.895854    654.056   97.0777      1155.43   97.0777      282.083   97.0777      
1 1 1 -48 6  11 o 13 0.673297     0.396532    362.447   -151.256     ?         ?            ?         ?            
1 1 1 -48 6  12 f 0  22.7629      1.24779     543.965   173.203      1824.04   173.203      666.178   173.203      
1 1 1 -48 6  13 o 10 9.72839      0.820055    459.192   117.766      944.648   117.766      263.402   117.766      
1 1 1 -48 6  14 o 7  3.21726      0.621742    150.866   94.0563      155.356   94.0563      8.51394   94.0563      
1 1 1 -48 6  15 o 5  11.448       0.799986    696.028   93.0323      1038.56   93.0323      201.148   93.0323      
1 1 1 -48 6  16 o 5  6.20787      0.592519    698.704   -0.0346241   ?         ?            ?         ?            
1 1 1 -48 6  17 o 18 2.62942      0.471792    367.266   -124.749     ?         ?            ?         ?            
1 1 1 -48 6  18 o 11 1.89547      0.498184    496.662   -103.912     ?         ?            ?         ?            
1 1 1 -48 6  19 o 7  2.85636      0.513568    524.929   -136.215     ?         ?            ?         ?            
1 1 1 -48 6  20 o 4  4.72107      0.691238    179.762   103.837      ?         ?            ?         ?            
1 1 1 -48 8  1  o 11 1.96551      0.477323    642.293   -119.36      374.89    60.6397      477.691   60.6397      
1 1 1 -48 8  2  o 11 0.319243     0.391985    535.232   -153.333     ?         ?            ?         ?            
1 1 1 -48 8  3  o 15 7.77467      0.675272    1002.7    -63.3531     347.393   -63.3531     279.619   116.647      
1 1 1 -48 8  4  o 10 3.38614      0.531618    1091.71   60.7898      193.373   -119.21      590.071   -119.21      
1 1 1 -48 8  5  o 3  2.02877      0.563619    534.494   -71.6394     297.107   108.361      389.954   108.361      
1 1 1 -48 8  6  o 15 4.73716      0.582902    346.646   52.0329      253.06    52.0329      29.912    -127.967     
1 1 1 -48 8  7  o 9  2.03481      0.497167    110.718   124.778      29.0316   -55.2216     64.4635   -55.2216     
1 1 1 -48 8  8  o 10 4.84537      0.585689    731.082   -115.643     51.8865   -115.643     304.11    64.3566      
1 1 1 -48 8  9  o 10 4.37569      0.77061     563.062   160.57       320.959   160.57       94.4166   -19.4299     
1 1 1 -48 8  10 o 10 3.57115      0.714614    422.663   -86.9291     192.885   -86.9291     95.8701   93.0709      
1 1 1 -48 8  11 o 14 14.2677      0.907444    938.121   -49.772      1089.45   -49.772      115.313   -49.772      
1 1 1 -48 8  12 o 13 19.5672      0.966138    803.157   132.233      1593.24   132.233      428.144   132.233      
1 1 1 -48 8  13 o 1  2.14788      0.554429    486.027   -116.396     73.7607   -116.396     184.03    63.6044      
1 1 1 -48 8  14 f 0  1.94593      0.512904    612.368   -43.6822     ?         ?            ?         ?            
1 1 1 -48 8  15 o 1  0.674883     0.412245    473.45    71.7675      ?         ?            ?         ?            
1 1 1 -48 8  16 o 2  1.30032      0.455023    438.04    -76.6374     ?         ?            ?         ?            
1 1 1 -48 8  17 o 3  0.134984     0.444602    261.509   50.8243      ?         ?            ?         ?            
1 1 1 -48 8  18 o 11 4.64416      0.71295     560.448   83.0239      ?         ?            ?         ?            
1 1 1 -48 10 1  o 13 1.4489       0.530275    275.182   -52.1869     59.036    127.813      155.51    127.813      
1 1 1 -48 10 2  o 1  -0.307515    0.440505    459.319   111.371      ?         ?            ?         ?            
1 1 1 -48 10 3  o 15 4.68134      0.719705    839.235   -92.6309     273.583   -92.6309     247.162   87.3691      
1 1 1 -48 10 4  o 14 8.39233      0.736907    803.363   22.823       716.222   22.823       9.64353   -157.177     
1 1 1 -48 10 5  o 3  8.46519      0.782704    823.69    -119.287     697.978   -119.287     28.469    60.7126      
1 1 1 -48 10 6  o 14 2.54021      0.692382    253.484   178.005      163.892   178.005      34.3391   -1.99492     
1 1 1 -48 10 7  o 18 2.24064      0.607197    332.854   -49.1295     55.1568   -49.1295     125.133   130.871      
1 1 1 -48 10 8  o 4  2.26744      0.541186    228.189   1.06115      157.582   1.06115      25.6225   -178.939     
1 1 1 -48 10 9  o 10 0.743545     0.53238     429.513   152.79       288.948   -27.2101     339.409   -27.2101     
1 1 1 -48 10 10 o 14 11.2277      0.785823    798.289   -179.602     1042.13   -179.602     164.822   -179.602     
1 1 1 -48 10 11 f 0  0.294655     0.431917    289.846   7.69588      205.491   -172.304     228.582   -172.304     
1 1 1 -48 10 12 o 10 0.667045     0.464522    284.525   75.6872      ?         ?            ?         ?            
1 1 1 -48 10 13 o 6  2.09319      0.480587    501.603   15.6825      ?         ?            ?         ?            
1 1 1 -48 10 14 f 0  2.19359      0.461019    70.0425   155.055      ?         ?            ?         ?            
1 1 1 -48 10 15 o 6  3.25885      0.52884     235.859   -152.251     ?         ?            ?         ?            
1 1 1 -48 10 16 o 8  1.90356      0.662567    264.722   13.7281      ?         ?            ?         ?            
1 1 1 -48 12 1  o 16 1.53258      0.471533    249.613   30.3015      136.313   30.3015      36.7494   -149.699     
1 1 1 -48 12 2  f 0  0.752391     0.41849     344.488   -136.348     67.9772   43.6521      179.414   43.6521      
1 1 1 -48 12 3  o 10 0.652156     0.553142    497.526   -40.3747     174.388   139.625      297.308   139.625      
1 1 1 -48 12 4  f 0  1.81456      0.725642    229.303   -86.3555     173.308   -86.3555     9.83082   93.6445      
1 1 1 -48 12 5  o 9  3.65547      0.613333    503.972   68.313       467.963   68.313       23.534    68.313       
1 1 1 -48 12 6  o 8  0.626515     0.471882    369.966   162.933      137.177   -17.067      221.357   -17.067      
1 1 1 -48 12 7  o 16 3.80695      0.619658    551.953   -88.8254     502.267   -88.8254     26.3373   -88.8254     
1 1 1 -48 12 8  o 8  0.602512     0.485641    127.21    -74.4891     ?         ?            ?         ?            
1 1 1 -48 12 9  o 3  2.31868      0.538499    531.06    96.0862      ?         ?            ?         ?            
1 1 1 -48 12 10 o 16 2.22035      0.507565    315.719   -138.277     ?         ?            ?         ?            
1 1 1 -48 12 11 o 1  2.34427      0.541408    142.568   -68.3765     ?         ?            ?         ?            
1 1 1 -48 12 12 o 19 1.24713      0.474477    462.909   112.639      ?         ?            ?         ?            
1 1 1 -48 12 13 o 14 1.93645      0.647973    371.413   -14.8054     ?         ?            ?         ?            
1 1 1 -48 14 1  o 3  0.334169     0.507151    99.6541   141.937      ?         ?            ?         ?            
1 1 1 -48 14 2  o 13 1.65842      0.563224    286.173   -134.153     ?         ?            ?         ?            
1 1 1 -48 14 3  o 6  1.31453      0.485914    176.719   -58.1666     ?         ?            ?         ?            
1 1 1 -48 14 4  o 5  1.4616       0.507161    416.286   42.0141      ?         ?            ?         ?            
1 1 1 -48 14 5  o 9  1.34252      0.591009    260.327   136.862      ?         ?            ?         ?            
1 1 1 -48 14 6  o 12 0.408359     0.536351    257.585   111.912      ?         ?            ?         ?            
1 1 1 -47 1  1  o 12 70.111       2.62899     2515.37   -54.4958     2310.19   -54.4958     125.576   -54.4958     
1 1 1 -47 1  2  o 18 7.28827      0.684586    1111.41   87.1687      183.048   87.1687      362.227   -92.8313     
1 1 1 -47 1  3  o 18 6.8176       0.634374    1238.66   -149.519     475.019   30.4812      743.16    30.4812      
1 1 1 -47 1  4  o 18 9.22753      0.742657    645.655   178.094      235.687   178.094      146.332   -1.90585     
1 1 1 -47 1  5  o 11 11.673       0.84724     522.037   -74.4281     ?         ?            ?         ?            
1 1 1 -47 1  6  f 0  2.4056       0.539623    199.42    133.508      ?         ?            ?         ?            
1 1 1 -47 1  7  o 14 9.75608      0.868332    540.843   -124.876     440.769   -124.876     6.55775   55.1243      
1 1 1 -47 1  8  o 17 27.869       1.54901     1041.02   163.348      1573.08   163.348      342.788   163.348      
1 1 1 -47 1  9  o 11 20.8219      0.986731    1572.33   87.0949      819.049   87.0949      273.241   -92.9051     
1 1 1 -47 1  10 o 13 52.8695      2.2851      1260.88   83.316       2664.72   83.316       774.375   83.316       
1 1 1 -47 1  11 o 6  43.0177      2.09649     961.326   -2.81506     2368.9    -2.81506     752.289   -2.81506     
1 1 1 -47 1  12 o 7  14.426       1.00958     1441.77   -53.3178     557.143   -53.3178     375.337   126.682      
1 1 1 -47 1  13 o 2  20.9053      1.24472     1007.38   -138.021     1316.99   -138.021     201.296   -138.021     
1 1 1 -47 1  14 f 0  13.5168      0.884907    1100.44   90.9841      842.243   90.9841      76.2274   -89.0159     
1 1 1 -47 1  15 o 17 21.7827      1.12894     1558.16   2.50248      1074.8    2.50248      165.742   -177.498     
1 1 1 -47 1  16 o 5  5.92145      0.606873    374.654   35.4372      512.649   35.4372      86.0722   35.4372      
1 1 1 -47 1  17 o 1  11.8844      0.829843    731.375   -3.44389     1086.52   -3.44389     207.783   -3.44389     
1 1 1 -47 1  18 o 10 5.01086      0.538351    618.779   175.858      ?         ?            ?         ?            
1 1 1 -47 1  19 o 4  4.93654      0.689368    398.688   -60.4717     ?         ?            ?         ?            
1 1 1 -47 1  20 o 15 1.77548      0.472108    542.437   48.3608      ?         ?            ?         ?            
1 1 1 -47 1  21 o 4  1.06051      0.545112    248.451   -125.979     ?         ?            ?         ?            
1 1 1 -47 1  22 o 17 1.76069      0.405767    95.3035   49.2075      ?         ?            ?         ?            
1 1 1 -47 3  1  o 9  1.43858      0.443402    438.83    -117.285     292.691   62.7154      329.863   62.7154      
1 1 1 -47 3  2  o 6  11.9197      0.922866    918.075   -26.6504     693.338   -26.6504     36.0448   153.35       
1 1 1 -47 3  3  o 4  4.47075      0.790831    738.728   101.091      282.29    -78.9095     449.055   -78.9095     
1 1 1 -47 3  4  o 6  72.4766      3.71856     2089.04   -49.379      2681.92   -49.379      467.683   -49.379      
1 1 1 -47 3  5  o 2  42.8285      1.94189     1471.33   44.8223      1789.7    44.8223      276.039   44.8223      
1 1 1 -47 3  6  o 13 9.3541       0.694233    961.01    122.735      58.7587   -57.2654     437.377   -57.2654     
1 1 1 -47 3  7  o 4  1.93509      0.397032    331.464   -172.602     156.252   7.39776      220.628   7.39776      
1 1 1 -47 3  8  o 16 26.4792      1.25608     1297.2    94.6895      1456.82   94.6895      162.315   94.6895      
1 1 1 -47 3  9  o 17 19.1542      0.981071    1107.05   4.06324      996.598   4.06324      7.57818   4.06324      
1 1 1 -47 3  10 o 3  8.2707       0.682373    1111.83   105.367      295.317   105.367      351.929   -74.6331     
1 1 1 -47 3  11 o 16 11.0139      0.684202    331.325   -160.09      597.977   -160.09      148.827   -160.09      
1 1 1 -47 3  12 o 8  27.0203      1.24279     794.859   56.4234      1840.25   56.4234      559.207   56.4234      
1 1 1 -47 3  13 o 7  3.42838      0.448202    578.574   88.0264      23.1624   88.0264      250.255   -91.9736     
1 1 1 -47 3  14 o 2  5.3901       0.624094    514.392   -178.576     210.43    -178.576     126.848   1.42426      
1 1 1 -47 3  15 o 13 15.4361      1.12683     1259.04   17.6596      905.561   17.6596      117.188   -162.34      
1 1 1 -47 3  16 o 11 8.14696      0.795868    775.612   -62.206      678.14    -62.206      15.521    117.794      
1 1 1 -47 3  17 o 9  19.0269      1.18296     886.3     156.294      ?         ?            ?         ?            
1 1 1 -47 3  18 o 8  7.02336      0.654067    627.811   -139.831     ?         ?            ?         ?            
1 1 1 -47 3  19 o 1  1.53107      0.411787    238.8     86.5367      ?         ?            ?         ?            
1 1 1 -47 3  20 o 9  1.26263      0.39681     183.346   165.26       ?         ?            ?         ?            
1 1 1 -47 3  21 o 17 3.64319      0.461512    387.219   72.8884      ?         ?            ?         ?            
1 1 1 -47 3  22 o 2  0.933935     0.418993    191.218   61.0881      ?         ?            ?         ?            
1 1 1 -47 5  1  o 9  9.996        1.02362     428.355   -123.961     244.235   -123.961     65.6626   56.0392      
1 1 1 -47 5  2  o 7  51.4814      1.8374      908.08    -138.856     2700.47   -138.856     953.314   -138.856     
1 1 1 -47 5  3  o 2  11.4439      0.704107    1328.89   145.948      369.901   145.948      395.836   -34.0518     
1 1 1 -47 5  4  o 7  71.0817      2.20267     1881.07   157.025      2823.19   157.025      587.28    157.025      
1 1 1 -47 5  5  o 10 44.9653      1.98182     1664.65   128.369      2045.21   128.369      289.297   128.369      
1 1 1 -47 5  6  o 19 1.46553      0.377673    791.131   -34.6385     ?         ?            ?         ?            
1 1 1 -47 5  7  o 14 9.84728      0.725948    778.556   34.5813      541.04    34.5813      77.7891   -145.419     
1 1 1 -47 5  8  o 17 3.76653      0.458451    765.414   -166.786     93.9936   13.2136      392.083   13.2136      
1 1 1 -47 5  9  o 8  9.94763      0.69795     1182.1    -6.01285     333.458   -6.01285     369.14    173.987      
1 1 1 -47 5  10 o 16 46.307       1.79241     1673.99   -76.4872     2125.31   -76.4872     302.446   -76.4872     
1 1 1 -47 5  11 o 11 26.2822      1.28167     1580.73   -139.286     1275.63   -139.286     78.6207   40.7144      
1 1 1 -47 5  12 o 1  36.7268      1.58194     1475.04   -157.089     1867.48   -157.089     267.563   -157.089     
1 1 1 -47 5  13 o 2  6.86999      0.614703    827.025   -9.72513     464.483   -9.72513     140.97    170.275      
1 1 1 -47 5  14 o 5  2.59538      0.576924    362.415   -168.429     41.1016   -168.429     143.891   11.571       
1 1 1 -47 5  15 o 1  1.37841      0.4217      170.819   103.211      6.45818   -76.789      81.4434   -76.789      
1 1 1 -47 5  16 o 7  7.84949      0.605418    646.49    56.2997      770.818   56.2997      89.5248   56.2997      
1 1 1 -47 5  17 o 16 11.1749      1.03168     877.88    46.8228      ?         ?            ?         ?            
1 1 1 -47 5  18 o 16 2.99632      0.595309    274.69    -45.7539     ?         ?            ?         ?            
1 1 1 -47 5  19 o 7  3.58663      0.626572    636.912   42.9025      ?         ?            ?         ?            
1 1 1 -47 5  20 o 9  0.49926      0.394396    397.048   -128.746     ?         ?            ?         ?            
1 1 1 -47 5  21 f 0  1.5718       0.408374    237.276   110.193      ?         ?            ?         ?            
1 1 1 -47 7  1  o 11 9.55388      0.885326    955.133   29.6263      534.909   29.6263      166.13    -150.374     
1 1 1 -47 7  2  o 18 17.9953      1.08497     1006.63   -73.3327     1160.62   -73.3327     123.5     -73.3327     
1 1 1 -47 7  3  o 15 2.36279      0.549066    291.109   161.332      84.1699   -18.668      174.189   -18.668      
1 1 1 -47 7  4  o 14 46.9429      1.84636     1337.01   -123.84      2328.17   -123.84      557.172   -123.84      
1 1 1 -47 7  5  o 13 1.89247      0.398962    1424.65   -7.09877     ?         ?            ?         ?            
1 1 1 -47 7  6  f 0  3.20728      0.545984    764.09    149.771      484.755   -30.2295     589.346   -30.2295     
1 1 1 -47 7  7  o 5  14.1261      0.902711    915.498   49.8007      945.172   49.8007      57.2256   49.8007      
1 1 1 -47 7  8  o 11 16.2842      0.876853    1395.77   158.714      781.302   158.714      241.416   -21.2859     
1 1 1 -47 7  9  o 11 0.997021     0.406915    313.334   -4.04061     190.28    175.959      236.695   175.959      
1 1 1 -47 7  10 o 2  11.0215      0.876493    876.726   -76.8195     812.768   -76.8195     10.8658   -76.8195     
1 1 1 -47 7  11 o 13 6.00023      0.775541    634.613   82.7103      480.882   82.7103      46.306    -97.2897     
1 1 1 -47 7  12 o 15 8.15679      0.747522    524.04    -130.413     815.955   -130.413     169.826   -130.413     
1 1 1 -47 7  13 o 19 10.4412      0.793802    700.057   -61.3301     976.985   -61.3301     167.944   -61.3301     
1 1 1 -47 7  14 o 15 24.9855      1.1649      1352.22   -173.127     1463.44   -173.127     111.968   -173.127     
1 1 1 -47 7  15 o 16 0.89763      0.454753    282.813   -158.907     ?         ?            ?         ?            
1 1 1 -47 7  16 o 12 6.54942      0.662118    691.459   115.032      ?         ?            ?         ?            
1 1 1 -47 7  17 o 15 0.286267     0.384699    191.6     157.38       ?         ?            ?         ?            
1 1 1 -47 7  18 o 4  2.94095      0.511849    426.017   -57.9173     ?         ?            ?         ?            
1 1 1 -47 7  19 o 14 6.69262      0.769534    304.497   14.2915      ?         ?            ?         ?            
1 1 1 -47 9  1  o 6  1.08757      0.41331     488.112   -90.3536     ?         ?            ?         ?            
1 1 1 -47 9  2  o 16 0.66824      0.449447    192.925   -70.6195     172.43    109.38       173.262   109.38       
1 1 1 -47 9  3  o 5  3.32246      0.50955     932.17    92.7158      92.4862   -87.2842     466.834   -87.2842     
1 1 1 -47 9  4  o 9  3.15134      0.512915    399.71    -58.0832     52.92     -58.0832     153.915   121.917      
1 1 1 -47 9  5  o 13 0.933441     0.480711    595.539   57.5791      473.529   -122.421     505.642   -122.421     
1 1 1 -47 9  6  o 19 14.0625      0.94598     562.846   74.1103      1222.11   74.1103      356.638   74.1103      
1 1 1 -47 9  7  o 6  4.18584      0.743301    316.317   103.947      137.218   103.947      74.6985   -76.0529     
1 1 1 -47 9  8  o 15 1.35424      0.595251    230.294   109.915      77.8413   -70.0854     143.643   -70.0854     
1 1 1 -47 9  9  o 18 7.45111      0.798249    868.756   -114.398     562.043   -114.398     115.91    65.6018      
1 1 1 -47 9  10 o 17 1.75639      0.487757    96.716    11.1294      17.9875   11.1294      35.3667   -168.871     
1 1 1 -47 9  11 o 8  13.0071      0.868772    497.911   116.657      1334.87   116.657      439.337   116.657      
1 1 1 -47 9  12 o 14 4.10477      0.549551    513.105   -173.22      465.698   -173.22      0.709409  -173.22      
1 1 1 -47 9  13 o 6  4.94086      0.613567    547.272   -49.5236     ?         ?            ?         ?            
1 1 1 -47 9  14 o 13 2.58414      0.483476    66.0313   142.417      ?         ?            ?         ?            
1 1 1 -47 9  15 o 14 0.455491     0.434934    201.832   -107.703     ?         ?            ?         ?            
1 1 1 -47 9  16 o 6  0.443352     0.391088    276.489   -56.2325     ?         ?            ?         ?            
1 1 1 -47 9  17 o 15 0.892287     0.531708    243.064   -30.6169     ?         ?            ?         ?            
1 1 1 -47 9  18 o 14 1.61642      0.404584    377.32    -49.4959     ?         ?            ?         ?            
1 1 1 -47 11 1  o 15 3.56072      0.605359    106.096   -83.4437     165.324   -83.4437     34.231    -83.4437     
1 1 1 -47 11 2  o 2  0.65857      0.424688    464.36    -104.989     252.356   75.0105      338.411   75.0105      
1 1 1 -47 11 3  o 7  0.644294     0.489868    541.563   64.2636      450.723   -115.736     472.891   -115.736     
1 1 1 -47 11 4  o 13 2.77181      0.542549    156.467   12.9872      183.415   12.9872      20.271    12.9872      
1 1 1 -47 11 5  o 5  1.11042      0.552644    488.529   10.9411      212.517   -169.059     328.692   -169.059     
1 1 1 -47 11 6  o 17 5.6249       0.996833    424.383   60.788       674.204   60.788       144.906   60.788       
1 1 1 -47 11 7  o 6  0.994007     0.479835    402.061   70.693       89.1829   -109.307     224.968   -109.307     
1 1 1 -47 11 8  o 18 2.15913      0.541967    252.149   38.902       217.056   38.902       2.8863    -141.098     
1 1 1 -47 11 9  o 17 5.37152      0.632769    508.987   -9.48234     655.7     -9.48234     107.868   -9.48234     
1 1 1 -47 11 10 f 0  1.24712      0.468955    105.007   84.2892      43.1943   84.2892      22.5254   -95.7108     
1 1 1 -47 11 11 o 18 3.39039      0.636421    390.438   -176.714     ?         ?            ?         ?            
1 1 1 -47 11 12 o 18 2.25936      0.473799    312.295   14.9144      ?         ?            ?         ?            
1 1 1 -47 11 13 o 9  2.39991      0.503496    196.267   45.8935      ?         ?            ?         ?            
1 1 1 -47 11 14 o 12 0.698313     0.443685    334.852   18.2568      ?         ?            ?         ?            
1 1 1 -47 11 15 o 19 1.05258      0.67687     404.049   -158.107     ?         ?            ?         ?            
1 1 1 -47 13 1  o 15 1.82198      0.506917    263.949   -111.91      252.802   -111.91      21.8113   -111.91      
1 1 1 -47 13 2  o 4  -0.27756     0.525315    249.173   -33.397      136.441   146.603      167.142   146.603      
1 1 1 -47 13 3  o 19 0.0565603    0.485924    348.586   157.044      152.998   -22.9562     214.899   -22.9562     
1 1 1 -47 13 4  o 4  1.11627      0.577481    141.852   -17.7657     78.4695   -17.7657     16.9873   162.234      
1 1 1 -47 13 5  o 4  1.68685      0.584027    45.0432   173.795      62.2262   173.795      13.3181   173.795      
1 1 1 -47 13 6  o 16 -0.632932    0.343774    271.545   -72.4669     ?         ?            ?         ?            
1 1 1 -47 13 7  o 5  1.4209       0.509822    415.426   -103.251     ?         ?            ?         ?            
1 1 1 -47 13 8  o 5  0.622202     0.51172     355.43    -19.7832     ?         ?            ?         ?            
1 1 1 -47 13 9  f 0  0.343641     0.498208    65.5076   80.0578      ?         ?            ?         ?            
1 1 1 -47 13 10 o 3  1.19023      0.446751    453.742   -59.1247     ?         ?            ?         ?            
1 1 1 -47 13 11 o 1  0.424335     0.435227    78.6441   -100.94      ?         ?            ?         ?            
1 1 1 -46 0  1  o 9  61.1247      2.82911     2689.91   180          2042.82   180          66.9199   2.21212e-13  
1 1 1 -46 0  2  o 10 0.643344     0.487217    128.008   0            ?         ?            ?         ?            
1 1 1 -46 0  3  o 1  3.80635      0.601467    1418.79   0            318.473   180          732.327   180          
1 1 1 -46 0  4  o 13 12.2391      1.13206     339.975   0            676.636   0            200.758   0            
1 1 1 -46 0  5  o 16 16.0598      1.27655     1547.15   180          637.696   180          309.568   2.14708e-14  
1 1 1 -46 0  6  o 12 5.69107      0.692495    55.0959   180          0.831519  180          22.1142   7.28054e-15  
1 1 1 -46 0  7  o 9  32.2142      2.30367     1386.22   180          1833.86   180          344.058   180          
1 1 1 -46 0  8  o 15 32.9424      2.33678     1450.52   0            1678.26   0            230.639   0            
1 1 1 -46 0  9  o 10 32.1267      2.60456     847.819   180          2270.75   180          772.863   180          
1 1 1 -46 0  10 o 15 3.73251      0.886557    926.878   180          246.784   1.60063e-14  528.261   3.73876e-15  
1 1 1 -46 0  11 o 10 19.9434      2.28035     741.018   180          1377.84   180          358.71    180          
1 1 1 -46 0  12 o 19 4.83072      0.674634    323.969   180          88.0878   1.63071e-14  190.448   3.77127e-15  
1 1 1 -46 0  13 o 15 51.709       3.13814     1914.38   180          2261.27   180          261.255   180          
1 1 1 -46 0  14 o 8  1.01053      0.492403    162.183   180          112.265   2.16347e-15  129.573   9.37243e-16  
1 1 1 -46 0  15 o 2  24.5998      1.54543     1309.92   180          1551.07   180          184.564   180          
1 1 1 -46 0  16 o 11 5.48376      0.895694    289.181   0            391.37    0            64.7149   0            
1 1 1 -46 0  17 o 16 1.38245      0.625178    63.0971   0            20.8744   180          39.3176   180          
1 1 1 -46 0  18 o 13 18.4657      1.64198     999.597   0            ?         ?            ?         ?            
1 1 1 -46 0  19 o 1  1.01027      0.661432    499.533   180          ?         ?            ?         ?            
1 1 1 -46 0  20 f 0  2.72904      1.79444     487.302   180          ?         ?            ?         ?            
1 1 1 -46 0  21 o 18 3.20077      0.72865     73.3245   0            ?         ?            ?         ?            
1 1 1 -46 0  22 o 9  -0.220763    0.495279    199.302   0            ?         ?            ?         ?            
1 1 1 -46 2  1  o 9  2.51634      0.486862    1369.66   28.4481      ?         ?            ?         ?            
1 1 1 -46 2  2  o 5  28.8327      1.29579     1562.24   -148.776     1317.56   -148.776     23.1741   -148.776     
1 1 1 -46 2  3  o 11 36.035       1.57369     1627.87   -67.62       1712.8    -67.62       194.084   -67.62       
1 1 1 -46 2  4  o 13 1.99538      0.406712    549.05    58.3467      418.419   -121.653     433.098   -121.653     
1 1 1 -46 2  5  o 14 5.14591      0.719978    314.6     63.4385      185.405   -116.562     221.609   -116.562     
1 1 1 -46 2  6  o 19 17.9815      1.11793     702.486   -137.935     1033.05   -137.935     226.365   -137.935     
1 1 1 -46 2  7  f 0  7.69429      0.902835    1141.33   -7.70737     213.002   -7.70737     370.529   172.293      
1 1 1 -46 2  8  o 13 94.1022      2.92726     2316.13   -104.037     3207.7    -104.037     620.388   -104.037     
1 1 1 -46 2  9  o 2  48.4734      1.76043     1535.69   144.752      2274.03   144.752      472.489   144.752      
1 1 1 -46 2  10 o 13 13.0654      1.04218     1368.44   -97.5272     101.891   -97.5272     552.988   82.4728      
1 1 1 -46 2  11 o 16 17.0648      1.20302     1036.4    102.783      506.203   102.783      212.04    -77.2168     
1 1 1 -46 2  12 o 15 95.1181      3.71156     1887.75   -157.164     3555.1    -157.164     921.837   -157.164     
1 1 1 -46 2  13 o 1  43.7109      2.58545     1313.28   58.1932      2206.41   58.1932      507.038   58.1932      
1 1 1 -46 2  14 o 19 8.38671      0.710328    464.062   -143.522     608.464   -143.522     94.4267   -143.522     
1 1 1 -46 2  15 o 6  8.76108      0.684016    375.699   -133.02      766.389   -133.02      213.678   -133.02      
1 1 1 -46 2  16 o 13 19.9105      1.05299     1011.61   8.80514      1403.09   8.80513      242.128   8.80513      
1 1 1 -46 2  17 o 10 1.46467      0.410698    186.735   -58.2484     24.1837   121.752      97.7263   121.752      
1 1 1 -46 2  18 o 10 2.10496      0.57928     589.513   128.319      ?         ?            ?         ?            
1 1 1 -46 2  19 o 19 3.73329      0.479879    165.14    -161.614     ?         ?            ?         ?            
1 1 1 -46 2  20 o 3  4.22411      0.483564    405.279   168.486      ?         ?            ?         ?            
1 1 1 -46 2  21 o 3  1.67203      0.421088    188.016   77.1953      ?         ?            ?         ?            
1 1 1 -46 2  22 o 16 0.839249     0.38701     77.19     35.5949      ?         ?            ?         ?            
1 1 1 -46 4  1  o 12 48.7553      1.97732     1850.17   160.24       1667.76   160.24       54.7398   160.24       
1 1 1 -46 4  2  o 12 39.9773      1.77054     1318.34   166.949      2070.59   166.949      481.838   166.949      
1 1 1 -46 4  3  o 6  22.4034      1.18242     938.508   -76.848      1441.82   -76.848      326.902   -76.848      
1 1 1 -46 4  4  o 4  46.3642      1.64296     2017.92   30.0775      1712.4    30.0775      6.32975   30.0775      
1 1 1 -46 4  5  o 19 10.805       0.899539    326.705   5.96474      102.157   -174.035     189.556   -174.035     
1 1 1 -46 4  6  o 7  20.456       1.06798     1365.81   99.9344      986.817   99.9344      91.0914   -80.0656     
1 1 1 -46 4  7  o 8  28.0319      1.20276     1264      14.0005      1558.41   14.0005      231.49    14.0005      
1 1 1 -46 4  8  o 11 6.5592       0.538572    950.886   -127.368     96.0391   -127.368     369.957   52.6321      
1 1 1 -46 4  9  o 11 5.3879       0.558961    590.256   101.613      212.212   -78.3872     369.286   -78.3872     
1 1 1 -46 4  10 o 6  8.67783      0.716063    319.287   109.855      352.09    109.855      32.0359   109.855      
1 1 1 -46 4  11 o 13 30.0741      1.39114     1365.03   -20.4022     1580      -20.4022     170.516   -20.4022     
1 1 1 -46 4  12 o 3  3.4533       0.47102     825.035   67.9427      193.345   -112.057     471.063   -112.057     
1 1 1 -46 4  13 o 6  6.91631      0.585906    723.274   122.826      462.736   122.826      95.5706   -57.1736     
1 1 1 -46 4  14 o 12 1.58861      0.440094    425.65    -150.776     ?         ?            ?         ?            
1 1 1 -46 4  15 o 5  8.88875      0.696359    610.854   155.608      763.965   155.608      104.887   155.608      
1 1 1 -46 4  16 o 6  2.97865      0.761283    493.893   -16.1325     203.176   -16.1325     124.645   163.867      
1 1 1 -46 4  17 o 12 4.89731      0.816453    565.213   -41.0648     ?         ?            ?         ?            
1 1 1 -46 4  18 o 19 3.11944      0.491371    579.728   117.302      ?         ?            ?         ?            
1 1 1 -46 4  19 o 8  8.73693      0.727941    809.268   -74.4643     ?         ?            ?         ?            
1 1 1 -46 4  20 o 6  -0.177605    0.337025    279.106   -8.99834     ?         ?            ?         ?            
1 1 1 -46 4  21 o 3  6.07772      0.629224    553.253   177.606      ?         ?            ?         ?            
1 1 1 -46 6  1  o 16 14.6466      1.00809     310.483   -75.4349     448.13    -75.4349     85.907    -75.4349     
1 1 1 -46 6  2  o 16 7.69705      0.705084    777.471   64.4192      286.615   64.4192      201.892   -115.581     
1 1 1 -46 6  3  o 10 13.251       0.712178    1298.54   46.9894      578.366   46.9894      287.389   -133.011     
1 1 1 -46 6  4  o 12 25.1566      1.18244     1170      -92.9585     1237.06   -92.9585     97.8713   -92.9585     
1 1 1 -46 6  5  o 1  26.0399      1.16352     1208.43   -135.614     1404.8    -135.614     162.429   -135.614     
1 1 1 -46 6  6  o 10 40.879       1.83088     1465.57   56.4929      1909.08   56.4929      296.206   56.4929      
1 1 1 -46 6  7  o 19 44.7452      1.74289     2158.97   -121.864     1630.13   -121.864     159.942   58.1361      
1 1 1 -46 6  8  o 1  2.59233      0.499356    410.977   100.734      211.664   -79.266      292.187   -79.266      
1 1 1 -46 6  9  o 5  6.99685      0.696195    896.036   110.964      225.204   110.964      294.319   -69.0358     
1 1 1 -46 6  10 o 1  29.6992      1.25792     1096.09   64.8033      1745.13   64.8033      375.514   64.8033      
1 1 1 -46 6  11 o 4  4.32226      0.495273    818.837   28.0135      86.8253   28.0135      326.708   -151.986     
1 1 1 -46 6  12 o 14 38.5389      1.58399     1175.89   -33.9495     2242.05   -33.9495     590.548   -33.9495     
1 1 1 -46 6  13 o 6  9.54249      0.830775    869.262   -143.438     742.489   -143.438     22.0581   36.5621      
1 1 1 -46 6  14 o 6  11.0832      0.805101    716.13    61.4258      989.953   61.4258      168.287   61.4258      
1 1 1 -46 6  15 o 10 4.57183      0.656904    625.768   -74.418      376.699   -74.418      98.7978   105.582      
1 1 1 -46 6  16 o 17 3.78129      0.542704    122.415   -32.388      ?         ?            ?         ?            
1 1 1 -46 6  17 o 7  1.63311      0.453254    380.441   -177.677     ?         ?            ?         ?            
1 1 1 -46 6  18 o 17 4.6516       0.554367    655.871   91.0111      ?         ?            ?         ?            
1 1 1 -46 6  19 o 15 0.778993     0.469021    185.264   -54.6165     ?         ?            ?         ?            
1 1 1 -46 6  20 o 11 2.28498      0.450427    474.242   3.67259      ?         ?            ?         ?            
1 1 1 -46 8  1  o 12 2.86309      0.543957    709.073   -159.599     398.892   20.4015      521.029   20.4015      
1 1 1 -46 8  2  o 12 4.61328      0.530225    194.035   32.5006      114.157   32.5006      30.9507   -147.499     
1 1 1 -46 8  3  o 15 15.6962      0.998597    738.252   167.893      1169.06   167.893      249.603   167.893      
1 1 1 -46 8  4  o 19 4.24286      0.534627    170.512   -70.8449     10.0344   109.155      82.3479   109.155      
1 1 1 -46 8  5  o 14 6.4417       0.761134    985.202   -144.408     58.0247   35.5916      475.482   35.5916      
1 1 1 -46 8  6  o 15 55.0051      1.93642     1811.99   -68.4748     2359.17   -68.4748     359.464   -68.4748     
1 1 1 -46 8  7  f 0  2.19541      0.447172    886.392   -177.653     328.475   2.34735      564.784   2.34735      
1 1 1 -46 8  8  o 9  3.95928      0.516499    497.088   29.3508      205.023   29.3508      121.803   -150.649     
1 1 1 -46 8  9  o 14 5.62711      0.563651    239.011   15.7752      330.434   15.7752      57.3693   15.7752      
1 1 1 -46 8  10 o 4  8.94578      0.895129    538.378   56.7184      632.362   56.7184      72.6242   56.7184      
1 1 1 -46 8  11 o 6  9.95449      0.958645    1030.13   136.453      664.424   136.453      136.484   -43.5474     
1 1 1 -46 8  12 o 18 9.1609       0.717891    797.048   -3.60233     793.873   -3.60233     31.8679   -3.60233     
1 1 1 -46 8  13 o 2  1.22446      0.475378    540.599   99.0475      301.548   -80.9525     398.6     -80.9525     
1 1 1 -46 8  14 o 14 0.40273      0.449908    427.083   -60.924      247.961   119.076      316.819   119.076      
1 1 1 -46 8  15 o 13 3.31955      0.519899    225.051   -126.655     ?         ?            ?         ?            
1 1 1 -46 8  16 o 5  1.01685      0.384299    413.138   129.613      ?         ?            ?         ?            
1 1 1 -46 8  17 o 10 0.814531     0.391847    171.21    143.578      ?         ?            ?         ?            
1 1 1 -46 8  18 o 16 2.2814       0.508525    580.442   172.468      ?         ?            ?         ?            
1 1 1 -46 8  19 o 15 0.960481     0.429613    192.922   -77.0099     ?         ?            ?         ?            
1 1 1 -46 10 1  o 10 2.24536      0.536021    578.289   44.576       37.5654   -135.424     281.754   -135.424     
1 1 1 -46 10 2  f 0  1.98486      0.55546     291.429   104.41       3.24477   104.41       130.797   -75.5896     
1 1 1 -46 10 3  f 0  8.9416       0.736419    565.463   -124.831     853.552   -124.831     169.838   -124.831     
1 1 1 -46 10 4  o 13 5.37812      0.645622    371.176   103.035      507.73    103.035      85.072    103.035      
1 1 1 -46 10 5  o 13 8.74843      0.825014    634.47    -140.123     829.578   -140.123     125.792   -140.123     
1 1 1 -46 10 6  o 7  3.97988      0.547174    557.855   174.109      290.24    174.109      109.59    -5.89089     
1 1 1 -46 10 7  o 9  0.360885     0.517024    281.295   -51.2111     193.946   128.789      225.767   128.789      
1 1 1 -46 10 8  o 3  1.94492      0.616447    138.277   136.004      44.593    136.004      41.145    -43.9959     
1 1 1 -46 10 9  f 0  -0.197435    0.449701    378.995   -47.2698     ?         ?            ?         ?            
1 1 1 -46 10 10 o 1  3.11224      0.520022    206.459   97.1927      265.383   97.1927      38.7982   97.1927      
1 1 1 -46 10 11 o 13 1.66134      0.500636    110.54    135.403      46.7444   135.403      25.9631   -44.597      
1 1 1 -46 10 12 o 14 2.32208      0.542935    547.703   -100.428     216.527   -100.428     128.527   79.572       
1 1 1 -46 10 13 o 1  1.01695      0.431094    512.448   172.441      ?         ?            ?         ?            
1 1 1 -46 10 14 o 1  2.15581      0.49884     238.696   -147.846     ?         ?            ?         ?            
1 1 1 -46 10 15 o 9  1.46077      0.466764    369.674   -24.2061     ?         ?            ?         ?            
1 1 1 -46 10 16 o 4  0.43362      0.536945    134.211   -89.0394     ?         ?            ?         ?            
1 1 1 -46 10 17 f 0  0.918829     0.436489    354.597   23.0994      ?         ?            ?         ?            
1 1 1 -46 12 1  o 6  4.7159       0.56362     400.549   5.55951      567.531   5.55951      109.22    5.55951      
1 1 1 -46 12 2  o 9  1.96208      0.463872    240.728   -119.804     176.124   -119.804     17.2305   60.196       
1 1 1 -46 12 3  o 11 2.7939       0.6996      362.62    125.859      325.095   125.859      3.9469    125.859      
1 1 1 -46 12 4  o 2  1.81098      0.699206    186.428   40.2224      98.8747   40.2224      31.792    -139.778     
1 1 1 -46 12 5  o 7  0.686312     0.534295    143.056   -104.418     32.5021   75.5822      78.098    75.5822      
1 1 1 -46 12 6  o 16 0.0472664    0.383603    398.796   -172.907     254.262   7.09319      297.467   7.09319      
1 1 1 -46 12 7  o 6  6.47927      0.691257    396.997   88.7573      895.006   88.7573      280.681   88.7573      
1 1 1 -46 12 8  o 19 1.39903      0.43977     542.764   -129.354     58.95     -129.354     194.198   50.6461      
1 1 1 -46 12 9  o 12 0.807847     0.460534    398.399   3.48087      ?         ?            ?         ?            
1 1 1 -46 12 10 o 13 3.27182      0.524233    310.311   102.434      ?         ?            ?         ?            
1 1 1 -46 12 11 o 6  1.71103      0.442364    378.91    -154.208     ?         ?            ?         ?            
1 1 1 -46 12 12 o 3  1.46346      0.485412    149.302   -146.933     ?         ?            ?         ?            
1 1 1 -46 12 13 o 18 -0.302645    0.540886    139.87    136.542      ?         ?            ?         ?            
1 1 1 -46 14 1  o 14 0.124134     0.53742     255.348   21.4911      109.128   -158.509     151.983   -158.509     
1 1 1 -46 14 2  o 6  -0.0560255   0.459956    167.385   58.322       62.9802   -121.678     95.527    -121.678     
1 1 1 -46 14 3  o 10 0.785826     0.458545    236.089   157.422      ?         ?            ?         ?            
1 1 1 -46 14 4  o 7  0.623941     0.519337    156.136   -178.295     ?         ?            ?         ?            
1 1 1 -46 14 5  o 17 0.464014     0.439267    225.083   -39.2244     ?         ?            ?         ?            
1 1 1 -46 14 6  o 10 0.277475     0.444192    244.598   25.3737      ?         ?            ?         ?            
1 1 1 -46 14 7  o 17 -0.0694415   0.47877     204.457   118.091      ?         ?            ?         ?            
1 1 1 -46 14 8  o 18 -0.0515921   0.472239    357.473   -172.581     ?         ?            ?         ?            
1 1 1 -45 1  1  f 0  18.7186      0.921229    638.621   123.664      805.813   123.664      145.845   123.664      
1 1 1 -45 1  2  o 2  7.91417      0.563739    995.595   33.0571      304.926   33.0571      247.853   -146.943     
1 1 1 -45 1  3  o 15 12.1701      0.778778    1076.88   1.39768      199.467   1.39768      333.298   -178.602     
1 1 1 -45 1  4  o 15 44.0425      1.72507     1608.61   -130.656     2009.89   -130.656     357.282   -130.656     
1 1 1 -45 1  5  o 19 15.5432      0.814853    1142.52   -45.7595     624.278   -45.7595     149.231   134.24       
1 1 1 -45 1  6  o 9  58.9522      2.14564     2509.59   94.7602      2061.02   94.7602      11.4452   94.7602      
1 1 1 -45 1  7  o 16 44.3786      1.92015     1731.79   -32.8873     1952.43   -32.8873     266.42    -32.8873     
1 1 1 -45 1  8  o 1  37.6694      1.42305     743.194   100.7        2259.54   100.7        820.87    100.7        
1 1 1 -45 1  9  o 18 22.1468      1.3821      1615.83   -71.9052     1037.97   -71.9052     165.385   108.095      
1 1 1 -45 1  10 o 4  47.1058      1.74136     1726.66   126.055      1775.05   126.055      139.765   126.055      
1 1 1 -45 1  11 o 12 10.7802      0.850027    785.528   -90.2413     574.537   -90.2413     60.5331   89.7587      
1 1 1 -45 1  12 o 17 81.5535      2.98698     2192.94   113.8        2840.72   113.8        432.667   113.8        
1 1 1 -45 1  13 o 19 38.1884      1.68991     1288.54   -34.1758     2057.01   -34.1758     443.566   -34.1758     
1 1 1 -45 1  14 o 19 2.71129      0.447324    642.13    -10.8683     304.227   169.132      443.205   169.132      
1 1 1 -45 1  15 o 2  19.0292      1.10691     1449.82   138.792      984.022   138.792      162.328   -41.2084     
1 1 1 -45 1  16 o 16 18.7734      1.02333     677.981   -155.957     1547.29   -155.957     467.055   -155.957     
1 1 1 -45 1  17 o 18 7.56657      0.613815    998.553   -78.2615     487.927   -78.2615     212.289   101.739      
1 1 1 -45 1  18 o 2  1.54979      0.40019     378.903   94.1006      ?         ?            ?         ?            
1 1 1 -45 1  19 o 6  8.85602      0.808387    701.555   86.2921      ?         ?            ?         ?            
1 1 1 -45 1  20 o 13 0.449598     0.388557    156.506   -66.6187     ?         ?            ?         ?            
1 1 1 -45 1  21 o 14 1.68606      0.467817    226.316   -72.0564     ?         ?            ?         ?            
1 1 1 -45 1  22 o 16 0.982292     0.488424    178.986   39.1414      ?         ?            ?         ?            
1 1 1 -45 3  1  o 13 13.0502      0.817098    1074.76   23.7814      639.8     23.7814      118.749   -156.219     
1 1 1 -45 3  2  o 14 161.835      6.04697     2904.62   33.4706      4550.93   33.4706      1092.5    33.4706      
1 1 1 -45 3  3  o 1  17.3729      1.12167     1210.07   104.307      996.224   104.307      5.21377   104.307      
1 1 1 -45 3  4  o 16 218.222      7.03049     4102.64   -127.445     4768.32   -127.445     708.969   -127.445     
1 1 1 -45 3  5  o 13 9.44442      1.00503     948.926   -166.495     748.726   13.5053      763.809   13.5053      
1 1 1 -45 3  6  o 17 27.0619      1.47127     981.207   -4.9361      1491.53   -4.9361      339.691   -4.9361      
1 1 1 -45 3  7  o 1  18.91        1.11767     1226.42   -141.502     15.7537   -141.502     505.893   38.4984      
1 1 1 -45 3  8  o 4  2.85185      0.477434    451.621   103.056      185.691   -76.9438     285.097   -76.9438     
1 1 1 -45 3  9  o 6  37.8354      1.5103      1954.8    -106.69      1530.38   -106.69      82.8625   73.31        
1 1 1 -45 3  10 o 18 50.4246      2.42342     1655.91   -15.6513     2197.57   -15.6513     366.344   -15.6513     
1 1 1 -45 3  11 o 12 88.9825      2.97066     1991.23   153.61       3310.79   153.61       760.372   153.61       
1 1 1 -45 3  12 o 18 40.4582      1.31335     1144.6    -45.0913     2236.28   -45.0913     599.009   -45.0913     
1 1 1 -45 3  13 o 4  19.6545      0.988334    1015.37   -95.5473     1255.69   -95.5473     167.033   -95.5473     
1 1 1 -45 3  14 o 16 1.33322      0.390813    703.084   17.4356      369.092   -162.564     502.28    -162.564     
1 1 1 -45 3  15 o 9  1.9911       0.694108    436.686   120.508      71.1994   -59.4922     232.675   -59.4922     
1 1 1 -45 3  16 f 0  30.8294      1.5764      1172      155.414      1882.46   155.414      408.459   155.414      
1 1 1 -45 3  17 o 18 34.1809      1.6357      1052.74   0.553111     2173.87   0.553111     603.981   0.553111     
1 1 1 -45 3  18 o 11 8.51312      0.74485     646.614   3.44821      ?         ?            ?         ?            
1 1 1 -45 3  19 o 18 13.707       0.83658     627.297   88.9721      ?         ?            ?         ?            
1 1 1 -45 3  20 o 15 2.74268      0.466463    439.994   -77.308      ?         ?            ?         ?            
1 1 1 -45 3  21 o 10 1.42237      0.469908    224.456   -3.77403     ?         ?            ?         ?            
1 1 1 -45 3  22 o 15 2.7941       0.439327    383.738   -152.122     ?         ?            ?         ?            
1 1 1 -45 5  1  o 13 25.6849      1.39112     928.063   79.4578      1374      79.4578      290.858   79.4578      
1 1 1 -45 5  2  o 18 31.5725      1.55242     1383.6    69.6976      1627.02   69.6976      224.68    69.6976      
1 1 1 -45 5  3  o 9  16.8936      0.807968    1629.8    -47.7491     611.297   -47.7491     388.098   132.251      
1 1 1 -45 5  4  o 11 23.2971      1.1319      1190.83   -76.4007     1227.11   -76.4007     104.939   -76.4007     
1 1 1 -45 5  5  o 6  20.1423      0.938368    1398.97   29.0338      1029.61   29.0338      86.6243   -150.966     
1 1 1 -45 5  6  f 0  17.4842      0.949934    1814.95   -139.335     485.978   -139.335     544.646   40.6645      
1 1 1 -45 5  7  o 1  33.1049      1.48407     1126.79   102.923      1878.87   102.923      444.728   102.923      
1 1 1 -45 5  8  f 0  4.8212       0.522996    837.556   -18.3649     57.34     161.635      401.01    161.635      
1 1 1 -45 5  9  o 18 2.74329      0.444794    479.309   -146.968     348.379   33.0321      389.686   33.0321      
1 1 1 -45 5  10 o 13 17.3732      0.884994    1274.5    98.1777      925.245   98.1777      114.805   -81.8223     
1 1 1 -45 5  11 o 4  23.2672      1.41331     1309.13   53.9159      1255.98   53.9159      33.4811   53.9159      
1 1 1 -45 5  12 o 15 6.53464      0.648937    481.257   70.8764      316.54    70.8764      59.7351   -109.124     
1 1 1 -45 5  13 o 10 1.61871      0.397823    616.199   101.404      388.159   -78.5956     472.196   -78.5956     
1 1 1 -45 5  14 o 6  1.53837      0.417353    402.362   -8.82258     128.025   171.177      245.78    171.177      
1 1 1 -45 5  15 o 3  3.28853      0.699146    721.052   -134.035     55.2236   -134.035     300.762   45.9651      
1 1 1 -45 5  16 o 15 15.1323      0.846404    955.787   -140.926     1173.35   -140.926     148.11    -140.926     
1 1 1 -45 5  17 o 14 4.06903      0.499237    391.4     78.1282      ?         ?            ?         ?            
1 1 1 -45 5  18 o 9  6.32268      0.735002    753.846   -105.54      ?         ?            ?         ?            
1 1 1 -45 5  19 o 14 6.57543      1.07176     479.169   130.055      ?         ?            ?         ?            
1 1 1 -45 5  20 o 13 0.72968      0.346969    637.509   -94.9743     ?         ?            ?         ?            
1 1 1 -45 5  21 f 0  4.54106      0.626545    330.174   -66.4916     ?         ?            ?         ?            
1 1 1 -45 7  1  o 4  8.47745      0.680138    1125.07   119.242      9.06491   -60.7575     512.04    -60.7575     
1 1 1 -45 7  2  o 19 2.60806      0.457107    313.941   -128.086     114.31    51.9137      198.602   51.9137      
1 1 1 -45 7  3  o 8  0.311892     0.344996    239.374   -19.9901     ?         ?            ?         ?            
1 1 1 -45 7  4  o 11 2.16554      0.412037    1134.33   117.002      ?         ?            ?         ?            
1 1 1 -45 7  5  o 16 19.32        1.03743     779.854   132.904      1320.73   132.904      307.725   132.904      
1 1 1 -45 7  6  o 17 44.2318      1.668       1625.58   165.483      2028.11   165.483      277.233   165.483      
1 1 1 -45 7  7  o 8  9.09156      0.670939    866.534   57.3506      460.716   57.3506      163.058   -122.649     
1 1 1 -45 7  8  o 2  2.86981      0.444381    93.4728   121.61       19.0024   -58.3902     51.9417   -58.3902     
1 1 1 -45 7  9  o 19 18.3362      0.983272    307.985   109.482      1249.98   109.482      485.404   109.482      
1 1 1 -45 7  10 o 10 8.92235      0.746491    875.257   135.949      563.972   135.949      113.556   -44.051      
1 1 1 -45 7  11 o 15 0.904086     0.393238    260.567   -152.439     164.978   27.5609      200.038   27.5609      
1 1 1 -45 7  12 o 6  19.4888      1.13172     1266.78   123.684      1174.83   123.684      14.671    123.684      
1 1 1 -45 7  13 o 18 6.87052      0.643879    746.843   9.95047      581.667   9.95047      49.2364   -170.05      
1 1 1 -45 7  14 o 10 3.63576      0.596956    517.522   -103.587     290.109   -103.587     92.3017   76.4132      
1 1 1 -45 7  15 o 8  10.5055      0.807121    364.089   66.6097      1188.93   66.6097      428.31    66.6097      
1 1 1 -45 7  16 o 17 2.34718      0.473076    618.391   -67.193      ?         ?            ?         ?            
1 1 1 -45 7  17 o 6  2.49403      0.45729     454.836   -23.4158     ?         ?            ?         ?            
1 1 1 -45 7  18 o 4  0.412241     0.341238    91.6882   24.7334      ?         ?            ?         ?            
1 1 1 -45 7  19 o 16 3.40145      0.492095    316.262   -155.705     ?         ?            ?         ?            
1 1 1 -45 7  20 o 5  2.03583      0.483906    202.108   89.6442      ?         ?            ?         ?            
1 1 1 -45 9  1  o 11 4.8911       0.661007    608.911   22.8075      127.645   -157.193     338.731   -157.193     
1 1 1 -45 9  2  o 2  1.7696       0.449932    370.478   -169.803     234.562   10.1972      284.588   10.1972      
1 1 1 -45 9  3  o 11 2.79025      0.476503    324.177   -154.844     129.091   25.1557      210.94    25.1557      
1 1 1 -45 9  4  o 11 4.14524      0.550507    825.528   91.495       319.585   -88.505      532.48    -88.505      
1 1 1 -45 9  5  o 2  1.74048      0.431311    121.916   52.0263      52.4017   -127.974     81.2154   -127.974     
1 1 1 -45 9  6  o 2  1.73732      0.439607    433.882   -127.999     ?         ?            ?         ?            
1 1 1 -45 9  7  o 3  30.103       1.70834     1335.9    -117.965     1710.73   -117.965     252.43    -117.965     
1 1 1 -45 9  8  o 19 6.80096      0.696288    1131.56   55.8843      207.764   55.8843      407.816   -124.116     
1 1 1 -45 9  9  o 1  11.723       1.0898      960.919   53.0356      868.699   53.0356      1.92411   -126.964     
1 1 1 -45 9  10 o 12 3.78953      0.61473     431.442   149.849      322.973   149.849      35.504    -30.1511     
1 1 1 -45 9  11 o 1  5.41669      0.628882    357.905   -124.322     588.961   -124.322     130.311   -124.322     
1 1 1 -45 9  12 o 5  3.71049      0.531514    247.184   75.6554      372.789   75.6554      73.2731   75.6554      
1 1 1 -45 9  13 o 6  1.56397      0.432662    338.653   94.7948      81.351    94.7948      111.671   -85.2052     
1 1 1 -45 9  14 o 5  1.42873      0.49696     572.695   63.3425      ?         ?            ?         ?            
1 1 1 -45 9  15 o 8  0.530188     0.396665    281.051   -145.078     ?         ?            ?         ?            
1 1 1 -45 9  16 o 10 1.72746      0.411597    32.945    72.1854      ?         ?            ?         ?            
1 1 1 -45 9  17 o 10 0.564569     0.390405    397.759   -158.521     ?         ?            ?         ?            
1 1 1 -45 9  18 o 15 -0.0915157   0.373334    157.444   -80.6499     ?         ?            ?         ?            
1 1 1 -45 11 1  o 6  1.14729      0.474234    347.036   46.7774      238.454   -133.223     278.473   -133.223     
1 1 1 -45 11 2  o 3  3.99308      0.733445    227.507   -130.949     124.898   -130.949     41.9419   49.0507      
1 1 1 -45 11 3  o 6  0.174388     0.426526    243.218   -89.634      ?         ?            ?         ?            
1 1 1 -45 11 4  o 16 1.54165      0.483949    33.1533   -138.928     5.68449   -138.928     12.3709   41.0724      
1 1 1 -45 11 5  o 2  0.355307     0.444217    477.246   -60.8782     ?         ?            ?         ?            
1 1 1 -45 11 6  o 14 1.20336      0.570255    463.566   -171.637     138.784   8.36278      281.73    8.36278      
1 1 1 -45 11 7  o 13 2.55806      0.712949    396.004   -148.566     227.069   -148.566     67.1039   31.4336      
1 1 1 -45 11 8  o 8  1.00162      0.468668    249.565   -51.0193     73.3138   128.981      149.478   128.981      
1 1 1 -45 11 9  o 12 8.47339      0.726891    628.29    -109.357     909.127   -109.357     175.117   -109.357     
1 1 1 -45 11 10 o 18 2.12299      0.504517    201.215   -88.2863     193.374   -88.2863     9.41531   -88.2863     
1 1 1 -45 11 11 o 13 2.81956      0.658024    705.31    37.6948      187.881   37.6948      202.173   -142.305     
1 1 1 -45 11 12 o 15 0.791964     0.410417    25.2344   -131.195     ?         ?            ?         ?            
1 1 1 -45 11 13 o 9  1.16587      0.453926    398.85    -109.978     ?         ?            ?         ?            
1 1 1 -45 11 14 o 11 0.863328     0.428735    394.045   -110.531     ?         ?            ?         ?            
1 1 1 -45 11 15 o 16 0.947874     0.57755     53.2684   118.655      ?         ?            ?         ?            
1 1 1 -45 13 1  o 15 0.676699     0.422475    300.961   123.96       35.3019   -56.0395     139.413   -56.0395     
1 1 1 -45 13 2  o 11 1.96209      0.598342    312.522   50.5376      253.767   50.5376      0.0798125 50.5376      
1 1 1 -45 13 3  o 2  2.6827       0.715987    190.018   -58.1613     358.259   -58.1613     102.046   -58.1613     
1 1 1 -45 13 4  o 16 4.28577      0.647556    494.675   -70.421      613.681   -70.421      106.822   -70.421      
1 1 1 -45 13 5  o 5  1.12562      0.508725    285.444   158.343      38.5645   158.343      95.4638   -21.6572     
1 1 1 -45 13 6  o 12 -0.0417472   0.421342    316.087   82.6408      216.957   -97.3592     234.596   -97.3592     
1 1 1 -45 13 7  o 1  -0.447125    0.439816    467.845   163.32       320.908   -16.6796     345.661   -16.6796     
1 1 1 -45 13 8  o 3  1.57165      0.513255    121.015   -138.271     ?         ?            ?         ?            
1 1 1 -45 13 9  o 12 0.208741     0.371245    255.924   -99.9393     ?         ?            ?         ?            
1 1 1 -45 13 10 o 4  1.61851      0.491838    235.6     102.811      ?         ?            ?         ?            
1 1 1 -45 13 11 o 9  0.697588     0.410821    190.273   -39.5053     ?         ?            ?         ?            
1 1 1 -44 0  1  o 2  19.2448      1.39703     1228.62   0            1404.67   0            209.898   0            
1 1 1 -44 0  2  o 9  47.2767      2.6776      1450.06   0            2589.4    0            713.674   0            
1 1 1 -44 0  3  o 3  104.231      4.52715     2893.37   180          3073.28   180          377.254   180          
1 1 1 -44 0  4  o 7  41.3279      2.21199     1888.02   0            2065.5    0            275.908   0            
1 1 1 -44 0  5  o 3  12.0778      1.56148     947.421   180          973.325   180          106.37    180          
1 1 1 -44 0  6  o 6  1.84361      0.478918    576.432   0            ?         ?            ?         ?            
1 1 1 -44 0  7  o 3  2.15466      0.479869    221.256   180          133.211   2.43267e-15  156.303   1.03664e-15  
1 1 1 -44 0  8  o 3  221.369      7.56586     4015.18   0            4966.78   0            836.815   0            
1 1 1 -44 0  9  o 16 4.28633      0.861389    356.183   180          ?         ?            ?         ?            
1 1 1 -44 0  10 o 1  7.85469      0.742333    375.198   0            267.995   0            26.0992   180          
1 1 1 -44 0  11 o 18 40.3226      3.61003     1937.83   180          1398.91   180          148.108   7.32908e-14  
1 1 1 -44 0  12 f 0  15.8786      1.34079     743.282   0            1225.63   0            280.558   0            
1 1 1 -44 0  13 o 1  1.94854      0.551213    816.883   0            416.139   180          578.082   180          
1 1 1 -44 0  14 o 6  7.36068      0.77866     487.37    0            316.404   0            63.0441   180          
1 1 1 -44 0  15 f 0  23.3262      1.62722     934.327   0            1720.69   0            438.101   0            
1 1 1 -44 0  16 f 0  26.3589      1.47727     383.408   180          2316.49   180          985.174   180          
1 1 1 -44 0  17 o 13 5.85083      0.933496    581.196   180          661.229   180          65.9715   180          
1 1 1 -44 0  18 o 4  6.57268      0.929688    843.954   180          602.752   180          85.8687   5.62702e-14  
1 1 1 -44 0  19 o 6  3.46611      0.911268    87.5102   180          ?         ?            ?         ?            
1 1 1 -44 0  20 o 12 0.798851     0.586154    233.367   0            ?         ?            ?         ?            
1 1 1 -44 0  21 o 11 1.96395      0.997954    204.281   180          ?         ?            ?         ?            
1 1 1 -44 0  22 o 4  4.70903      0.704902    195.028   180          ?         ?            ?         ?            
1 1 1 -44 2  1  o 19 3.02691      0.421173    611.374   177.071      ?         ?            ?         ?            
1 1 1 -44 2  2  f 0  41.9319      1.39975     1617.34   -4.07831     2059.63   -4.07831     380.362   -4.07831     
1 1 1 -44 2  3  o 6  1.63952      0.372846    543.583   -171.065     215.085   8.93515      325.844   8.93515      
1 1 1 -44 2  4  o 15 2.35064      0.439392    299.42    10.0225      ?         ?            ?         ?            
1 1 1 -44 2  5  o 18 3.4568       0.537068    719.669   74.6524      377.193   -105.348     478.696   -105.348     
1 1 1 -44 2  6  o 9  43.6741      1.43616     1319.65   -131.642     2301.18   -131.642     615.899   -131.642     
1 1 1 -44 2  7  o 1  15.4024      0.897422    910.034   96.7847      328.288   96.7847      207.856   -83.2153     
1 1 1 -44 2  8  o 16 7.44154      1.06139     552.358   166.349      273.246   -13.6514     365.517   -13.6514     
1 1 1 -44 2  9  o 8  50.7844      2.14886     1653.43   15.0879      2319.46   15.0879      461.584   15.0879      
1 1 1 -44 2  10 o 19 56.2786      1.74973     1533.19   -141.502     2421      -141.502     548.374   -141.502     
1 1 1 -44 2  11 o 5  46.6233      1.58636     1906.19   11.8091      1924.26   11.8091      119.909   11.8091      
1 1 1 -44 2  12 o 15 41.283       1.87761     1070.19   -175.706     2269.41   -175.706     653.236   -175.706     
1 1 1 -44 2  13 o 19 4.57274      0.65162     387.276   81.3615      98.5534   81.3615      126.491   -98.6385     
1 1 1 -44 2  14 o 11 10.9686      1.10537     788.01    -140.25      711.009   -140.25      1.81048   39.7504      
1 1 1 -44 2  15 o 9  1.67578      0.419738    323.193   -82.698      134.693   97.302       213.232   97.302       
1 1 1 -44 2  16 o 2  1.12259      0.379646    418.149   160.805      175.186   -19.1955     276.627   -19.1955     
1 1 1 -44 2  17 o 13 21.1504      1.1139      814.188   113.266      1648.22   113.266      452.244   113.266      
1 1 1 -44 2  18 o 15 10.5938      0.773508    505.251   -30.9723     ?         ?            ?         ?            
1 1 1 -44 2  19 o 14 1.16081      0.464612    572.596   -86.3504     ?         ?            ?         ?            
1 1 1 -44 2  20 o 13 1.13413      0.342181    207.303   29.9056      ?         ?            ?         ?            
1 1 1 -44 2  21 o 14 1.99506      0.418713    252.239   43.955       ?         ?            ?         ?            
1 1 1 -44 2  22 o 1  -0.184768    0.361405    239.554   154.633      ?         ?            ?         ?            
1 1 1 -44 4  1  o 2  63.181       2.77729     1653.51   -39.2894     2798.19   -39.2894     720.187   -39.2894     
1 1 1 -44 4  2  o 7  95.4799      3.39707     1902.96   45.1594      3686.38   45.1594      1063.62   45.1594      
1 1 1 -44 4  3  o 19 84.8644      3.54496     1931.95   105.285      3369.96   105.285      893.295   105.285      
1 1 1 -44 4  4  o 18 19.6994      1.1455      800.837   57.4082      1183.05   57.4082      262.409   57.4082      
1 1 1 -44 4  5  o 4  62.6316      2.70257     2292.99   -97.9999     2358.85   -97.9999     231.609   -97.9999     
1 1 1 -44 4  6  o 4  17.3615      1.1657      1440.66   -137.412     513.9     -137.412     344.033   42.5881      
1 1 1 -44 4  7  o 4  41.9622      1.86939     2076.47   -119.249     1661.38   -119.249     46.7421   60.7512      
1 1 1 -44 4  8  o 1  30.4836      1.28211     958.413   98.5031      1870.1    98.5031      523.414   98.5031      
1 1 1 -44 4  9  o 9  17.6669      1.04453     766.844   20.8893      1155.01   20.8893      242.047   20.8893      
1 1 1 -44 4  10 o 11 12.2073      0.83561     1055.54   140.415      625.966   140.415      157.018   -39.5847     
1 1 1 -44 4  11 o 11 6.8819       0.600649    43.4422   16.8553      13.6029   16.8553      12.8032   -163.145     
1 1 1 -44 4  12 o 5  0.239333     0.299552    519.017   -39.4511     ?         ?            ?         ?            
1 1 1 -44 4  13 o 4  20.8398      1.17403     1336.99   -67.5799     1051.95   -67.5799     80.187    112.42       
1 1 1 -44 4  14 o 14 9.77708      0.729283    776.883   -38.6543     666.755   -38.6543     17.3557   141.346      
1 1 1 -44 4  15 o 5  6.91671      0.645284    552.916   -20.0058     547.748   -20.0058     24.0999   -20.0058     
1 1 1 -44 4  16 o 1  0.310383     0.440849    170.552   -130.264     127.472   49.7357      141.47    49.7357      
1 1 1 -44 4  17 o 6  6.25079      0.861365    396.455   -178.474     705.314   -178.474     170.75    -178.474     
1 1 1 -44 4  18 o 16 35.6097      1.66182     885.738   110.229      ?         ?            ?         ?            
1 1 1 -44 4  19 o 9  1.32732      0.355933    211.291   136.303      ?         ?            ?         ?            
1 1 1 -44 4  20 o 1  9.2342       0.639026    675.069   89.1367      ?         ?            ?         ?            
1 1 1 -44 4  21 o 19 5.53696      0.584115    430.788   40.0848      ?         ?            ?         ?            
1 1 1 -44 4  22 o 1  1.12786      0.382193    385.484   -100.726     ?         ?            ?         ?            
1 1 1 -44 6  1  o 5  16.3304      0.92301     405.254   30.3141      938.484   30.3141      292.889   30.3141      
1 1 1 -44 6  2  o 13 16.8075      0.916293    1146.38   -133.116     965.397   -133.116     14.8672   46.8842      
1 1 1 -44 6  3  o 11 39.4066      1.43054     2116.76   155.526      1389.25   155.526      224.444   -24.4744     
1 1 1 -44 6  4  o 9  6.99464      0.700378    638.318   -17.2306     268.655   -17.2306     143.737   162.769      
1 1 1 -44 6  5  o 3  4.18172      0.496401    98.2725   -114.053     34.8955   65.9466      60.5155   65.9466      
1 1 1 -44 6  6  o 5  38.0112      1.70791     1748.8    -55.5823     1606.26   -55.5823     30.4291   -55.5823     
1 1 1 -44 6  7  o 1  25.8563      1.28539     277.522   166.941      1098.22   166.941      425.34    166.941      
1 1 1 -44 6  8  o 1  3.22113      0.486714    500.115   58.3566      361.172   -121.643     405.624   -121.643     
1 1 1 -44 6  9  o 2  47.2274      1.77515     1339.95   72.9007      2401.38   72.9007      593.771   72.9007      
1 1 1 -44 6  10 o 13 61.0477      1.88623     1951.34   -92.2826     2431.21   -92.2826     329.449   -92.2826     
1 1 1 -44 6  11 o 8  45.9967      1.78953     954.78    -142.863     2662.41   -142.863     898.31    -142.863     
1 1 1 -44 6  12 o 9  11.6883      0.840658    1063.32   77.1708      739.419   77.1708      110.647   -102.829     
1 1 1 -44 6  13 o 18 12.6506      0.961602    798.199   74.0357      1006.11   74.0357      142.891   74.0357      
1 1 1 -44 6  14 o 11 4.57311      0.722696    593.99    4.41102      345.233   4.41102      96.8077   -175.589     
1 1 1 -44 6  15 o 2  9.30147      0.687395    656.222   -148.617     887.97    -148.617     143.57    -148.617     
1 1 1 -44 6  16 o 7  1.88657      0.439168    348.824   91.3837      95.4362   91.3837      111.95    -88.6163     
1 1 1 -44 6  17 o 16 9.05519      0.729215    731.104   -140.225     ?         ?            ?         ?            
1 1 1 -44 6  18 o 6  0.334671     0.339795    206.588   38.7534      ?         ?            ?         ?            
1 1 1 -44 6  19 o 1  1.21548      0.385188    146.424   -148.699     ?         ?            ?         ?            
1 1 1 -44 6  20 o 16 1.14234      0.414727    488.286   102.389      ?         ?            ?         ?            
1 1 1 -44 6  21 o 7  3.20829      0.611068    427.576   23.997       ?         ?            ?         ?            
1 1 1 -44 8  1  f 0  1.5519       0.403879    515.362   -73.7303     ?         ?            ?         ?            
1 1 1 -44 8  2  o 10 8.75542      0.650538    1153.79   -3.8782      281.915   -3.8782      382.854   176.122      
1 1 1 -44 8  3  o 2  2.02484      0.411305    864.083   12.1916      ?         ?            ?         ?            
1 1 1 -44 8  4  o 8  5.56527      0.883858    520.103   -127.68      145.558   -127.68      163.395   52.3204      
1 1 1 -44 8  5  o 14 21.8158      1.15037     1182.07   51.8467      1212.41   51.8467      69.392    51.8467      
1 1 1 -44 8  6  o 13 11.2718      0.705931    851.832   -7.70373     767.605   -7.70373     2.87221   172.296      
1 1 1 -44 8  7  o 14 15.6435      0.884289    861.854   136.351      1135.97   136.351      177.264   136.351      
1 1 1 -44 8  8  o 19 2.32747      0.452942    595.211   -144.411     163.724   35.5892      351.131   35.5892      
1 1 1 -44 8  9  o 3  13.4091      0.83258     347.228   104.521      1040.17   104.521      363.338   104.521      
1 1 1 -44 8  10 o 2  3.05532      0.473108    164.974   10.8666      44.1944   10.8666      52.3364   -169.133     
1 1 1 -44 8  11 o 13 2.10357      0.615931    436.87    -84.7269     8.68644   95.2731      202.031   95.2731      
1 1 1 -44 8  12 o 4  4.24275      0.613327    1002.74   -44.6297     11.6201   -44.6297     451.005   135.37       
1 1 1 -44 8  13 o 2  1.33393      0.443976    68.281    -75.4591     9.47803   104.541      36.0518   104.541      
1 1 1 -44 8  14 o 19 1.81443      0.508296    329.272   -72.414      96.3718   -72.414      102.31    107.586      
1 1 1 -44 8  15 o 7  7.93031      0.661136    590.401   124.444      ?         ?            ?         ?            
1 1 1 -44 8  16 o 13 0.764963     0.374544    196.541   -121.521     ?         ?            ?         ?            
1 1 1 -44 8  17 o 9  2.68381      0.422247    486.507   -26.0618     ?         ?            ?         ?            
1 1 1 -44 8  18 o 4  1.03363      0.360303    334.171   -40.0191     ?         ?            ?         ?            
1 1 1 -44 8  19 o 19 1.43452      0.477177    405.815   17.0814      ?         ?            ?         ?            
1 1 1 -44 10 1  o 14 6.34079      0.724521    425.888   -119.973     355.277   -119.973     14.8964   60.0266      
1 1 1 -44 10 2  o 6  0.520298     0.367272    296.991   11.1643      245.852   -168.836     257.134   -168.836     
1 1 1 -44 10 3  o 8  0.457087     0.371381    421.696   127.538      ?         ?            ?         ?            
1 1 1 -44 10 4  o 14 2.01342      0.489757    142.681   -79.1638     4.06111   -79.1638     62.484    100.836      
1 1 1 -44 10 5  o 10 12.5788      0.88587     609.604   63.3819      1149.06   63.3819      298.559   63.3819      
1 1 1 -44 10 6  o 8  0.656039     0.431025    611.975   -3.08544     ?         ?            ?         ?            
1 1 1 -44 10 7  o 9  1.07855      0.44307     486.777   62.5255      331.941   -117.474     387.52    -117.474     
1 1 1 -44 10 8  o 10 5.21458      0.710643    591.063   -179.077     463.304   -179.077     38.4531   0.92255      
1 1 1 -44 10 9  o 2  12.0419      1.03002     1059.02   145.146      840.13    145.146      65.5787   -34.8543     
1 1 1 -44 10 10 o 19 4.03213      0.532014    458.803   56.535       426.602   56.535       2.94546   56.535       
1 1 1 -44 10 11 f 0  6.62295      0.611805    574.281   -50.9905     737.773   -50.9905     107.921   -50.9905     
1 1 1 -44 10 12 o 2  -0.106922    0.28159     304.788   121.739      241.224   -58.2607     255.986   -58.2607     
1 1 1 -44 10 13 o 12 0.265558     0.388904    231.836   -41.9152     ?         ?            ?         ?            
1 1 1 -44 10 14 o 1  3.73597      0.542788    473.114   101.996      ?         ?            ?         ?            
1 1 1 -44 10 15 o 3  0.99804      0.432864    411.385   52.597       ?         ?            ?         ?            
1 1 1 -44 10 16 o 3  -0.111521    0.341636    241.42    -151.586     ?         ?            ?         ?            
1 1 1 -44 10 17 o 5  0.986435     0.457977    39.048    59.2564      ?         ?            ?         ?            
1 1 1 -44 12 1  o 5  3.65285      0.525276    545.2     147.804      364.543   147.804      62.2155   -32.1955     
1 1 1 -44 12 2  o 3  2.68596      0.614717    453.823   84.8257      272.08    84.8257      67.9482   -95.1743     
1 1 1 -44 12 3  o 15 4.07875      0.680648    458.579   91.0807      474.003   91.0807      30.9392   91.0807      
1 1 1 -44 12 4  o 11 1.43316      0.517564    518.262   155.558      64.0568   -24.4419     264.208   -24.4419     
1 1 1 -44 12 5  o 1  3.9498       0.603505    503.286   20.4325      469.054   20.4325      10.4582   20.4325      
1 1 1 -44 12 6  o 4  1.37757      0.593679    296.773   -71.7069     62.2694   -71.7069     99.6371   108.293      
1 1 1 -44 12 7  o 19 2.60798      0.522753    355.388   37.3065      331.614   37.3065      11.5807   37.3065      
1 1 1 -44 12 8  f 0  -0.0573922   0.387393    100.843   73.2162      64.3034   -106.784     75.0239   -106.784     
1 1 1 -44 12 9  o 9  3.86948      0.559745    557.938   -177.282     437.491   -177.282     12.7118   2.71777      
1 1 1 -44 12 10 o 19 0.661414     0.411423    293.676   -49.6562     ?         ?            ?         ?            
1 1 1 -44 12 11 o 17 2.63456      0.474129    327.642   32.0967      ?         ?            ?         ?            
1 1 1 -44 12 12 o 8  0.329147     0.386885    49.6843   130.208      ?         ?            ?         ?            
1 1 1 -44 12 13 o 18 0.758451     0.695047    259.14    38.9841      ?         ?            ?         ?            
1 1 1 -44 12 14 o 7  1.78401      1.09476     125.219   -61.076      ?         ?            ?         ?            
1 1 1 -44 14 1  f 0  0.258246     0.443406    471.989   160.998      185.385   -19.0021     276.339   -19.0021     
1 1 1 -44 14 2  f 0  0.202519     0.415611    323.555   34.6934      102.145   -145.307     177.143   -145.307     
1 1 1 -44 14 3  o 5  1.2182       0.570071    160.484   156.896      127.278   156.896      1.11945   156.896      
1 1 1 -44 14 4  o 12 0.466894     0.473961    221.835   -14.1529     12.6365   165.847      92.5806   165.847      
1 1 1 -44 14 5  o 10 -0.0665651   0.428698    328.041   -3.37515     ?         ?            ?         ?            
1 1 1 -44 14 6  o 9  0.0554095    0.262841    365.515   -147.313     ?         ?            ?         ?            
1 1 1 -44 14 7  o 18 -0.437977    0.295965    206.914   -28.6593     ?         ?            ?         ?            
1 1 1 -44 14 8  o 11 1.24315      0.577133    271.815   -172.438     ?         ?            ?         ?            
1 1 1 -44 14 9  o 8  -0.132077    0.495957    206.603   -17.403      ?         ?            ?         ?            
1 1 1 -43 1  1  o 9  3.63431      0.439999    497.055   89.3858      30.5475   -90.6142     214.411   -90.6142     
1 1 1 -43 1  2  o 14 47.8378      1.7246      1662.34   168.985      2192.2    168.985      430.003   168.985      
1 1 1 -43 1  3  o 8  30.2747      1.26101     1020.48   19.2623      1923.78   19.2623      553.002   19.2623      
1 1 1 -43 1  4  o 19 13.4917      0.717116    1593.56   158.095      371.09    158.095      452.865   -21.9049     
1 1 1 -43 1  5  o 2  6.29328      0.595714    1054.01   -92.9528     ?         ?            ?         ?            
1 1 1 -43 1  6  o 3  12.7818      0.853813    817.671   25.6872      885.953   25.6872      114.72    25.6872      
1 1 1 -43 1  7  f 0  4.25432      0.582046    1428.79   133.686      410.553   -46.3141     781.658   -46.3141     
1 1 1 -43 1  8  o 9  46.4315      1.49812     1485.9    95.8744      2146.5    95.8744      468.014   95.8744      
1 1 1 -43 1  9  o 6  9.86834      0.70503     858.515   -54.13       452.009   -54.13       129.26    125.87       
1 1 1 -43 1  10 o 16 19.5002      1.15567     1001.52   -50.1844     1073.08   -50.1844     112.898   -50.1844     
1 1 1 -43 1  11 o 12 61.0302      2.05386     2222.19   -68.8822     2241.63   -68.8822     156.41    -68.8822     
1 1 1 -43 1  12 o 19 66.6375      2.33458     1883.36   -7.13434     2669.4    -7.13434     497.342   -7.13434     
1 1 1 -43 1  13 o 18 38.4821      1.53064     1348.48   161.62       1837.02   161.62       309.057   161.62       
1 1 1 -43 1  14 o 2  13.75        1.01501     859.589   160.597      956.291   160.597      87.7877   160.597      
1 1 1 -43 1  15 o 3  2.2604       0.386829    1006.19   -76.0142     376.403   103.986      643.365   103.986      
1 1 1 -43 1  16 o 10 6.92535      0.587452    509.33    176.873      604.415   176.873      72.4034   176.873      
1 1 1 -43 1  17 o 15 30.3723      1.61217     881.769   107.703      2081.2    107.703      639.854   107.703      
1 1 1 -43 1  18 o 6  8.05507      0.624817    507.239   -9.74497     874.563   -9.74497     204.546   -9.74497     
1 1 1 -43 1  19 o 6  7.05002      0.69023     339.683   -72.5766     ?         ?            ?         ?            
1 1 1 -43 1  20 f 0  4.34966      0.592321    548.948   -98.5259     ?         ?            ?         ?            
1 1 1 -43 1  21 o 11 1.90751      0.464329    291.101   147.958      ?         ?            ?         ?            
1 1 1 -43 1  22 o 11 3.65504      0.627599    196.022   -47.3514     ?         ?            ?         ?            
1 1 1 -43 1  23 o 19 -0.0492568   0.182214    271.851   -38.3768     ?         ?            ?         ?            
1 1 1 -43 3  1  o 19 11.8793      0.7685      828.437   156.399      678.999   156.399      6.34216   156.399      
1 1 1 -43 3  2  o 18 178.776      5.38676     3685.49   -143.61      4343.55   -143.61      690.935   -143.61      
1 1 1 -43 3  3  o 18 57.8606      2.23962     1976.01   -53.4474     2344.32   -53.4474     378.059   -53.4474     
1 1 1 -43 3  4  o 2  110.776      3.33699     2500.02   84.7956      3618.24   84.7956      803.132   84.7956      
1 1 1 -43 3  5  f 0  50.1118      1.89537     2046.02   -105.65      1908.73   -105.65      128.607   -105.65      
1 1 1 -43 3  6  o 4  11.1323      0.684605    1053.77   -22.7857     646.302   -22.7857     104.536   157.214      
1 1 1 -43 3  7  o 4  72.7398      2.57128     2436.12   104.112      2622.95   104.112      313.357   104.112      
1 1 1 -43 3  8  o 1  17.6391      0.981801    1074.11   -50.795      249.154   -50.795      321.82    129.205      
1 1 1 -43 3  9  o 14 121.323      3.63381     2701.15   126.407      3681.33   126.407      696.338   126.407      
1 1 1 -43 3  10 o 16 8.68305      0.683297    757.502   -77.1341     436.016   -77.1341     110.223   102.866      
1 1 1 -43 3  11 o 5  30.3516      1.57491     844.226   -31.38       1917.54   -31.38       584.721   -31.38       
1 1 1 -43 3  12 o 5  2.97806      0.523078    642.971   2.02327      175.191   -177.977     377.343   -177.977     
1 1 1 -43 3  13 o 15 100.08       3.21904     2379.55   116.363      3279.13   116.363      559.224   116.363      
1 1 1 -43 3  14 o 9  14.1567      0.852132    345.642   -93.7264     913.503   -93.7264     300.103   -93.7264     
1 1 1 -43 3  15 o 10 25.7418      1.21364     1157.13   -133.649     1573.48   -133.649     264.573   -133.649     
1 1 1 -43 3  16 o 7  3.7366       0.523049    769.774   -5.82692     105.837   -5.82692     295.338   174.173      
1 1 1 -43 3  17 o 15 12.2517      0.857641    624.026   -145.545     1166.29   -145.545     297.824   -145.545     
1 1 1 -43 3  18 o 6  9.53156      0.892871    559.985   -69.1219     ?         ?            ?         ?            
1 1 1 -43 3  19 o 14 3.33058      0.449386    476.237   -44.0714     ?         ?            ?         ?            
1 1 1 -43 3  20 o 12 2.31421      0.416541    391.007   171.591      ?         ?            ?         ?            
1 1 1 -43 3  21 o 3  2.51983      0.426905    651.68    -108.093     ?         ?            ?         ?            
1 1 1 -43 3  22 o 2  0.808163     0.341909    13.1863   -133.628     ?         ?            ?         ?            
1 1 1 -43 5  1  o 3  19.5115      1.03772     744.731   -51.7587     1316.23   -51.7587     348.523   -51.7587     
1 1 1 -43 5  2  o 6  27.1075      1.35097     1186.59   -157.672     1467.41   -157.672     241.624   -157.672     
1 1 1 -43 5  3  o 9  16.6611      1.03419     1230.34   105.642      912.363   105.642      54.2981   -74.3582     
1 1 1 -43 5  4  f 0  107          3.59834     1173.96   128.563      4490.61   128.563      1756.52   128.563      
1 1 1 -43 5  5  o 17 20.8735      1.15143     983.814   7.48899      1012.81   7.48899      94.0579   7.48899      
1 1 1 -43 5  6  o 14 13.891       0.832127    1023.94   115.819      739.952   115.819      63.5095   -64.1808     
1 1 1 -43 5  7  o 15 24.8615      1.17094     1244.47   26.248       1399.32   26.248       165.765   26.248       
1 1 1 -43 5  8  o 11 19.8092      1.0702      1347.55   -83.1683     992.878   -83.1683     90.8584   96.8317      
1 1 1 -43 5  9  o 2  42.5753      1.69659     1390.22   -163.648     2130.04   -163.648     449.124   -163.648     
1 1 1 -43 5  10 o 3  20.0401      1.0491      1033.4    -178.642     1141.76   -178.642     106.551   -178.642     
1 1 1 -43 5  11 o 14 1.94208      0.476651    476.53    -109.225     186.522   70.7753      309.257   70.7753      
1 1 1 -43 5  12 o 8  21.4191      1.09589     1058.26   -141.623     1240.41   -141.623     139.717   -141.623     
1 1 1 -43 5  13 o 3  5.59879      0.547166    98.636    -91.5742     68.7345   -91.5742     10.2591   88.4258      
1 1 1 -43 5  14 o 7  4.95366      0.598006    193.357   119.217      4.3108    119.217      85.0731   -60.7835     
1 1 1 -43 5  15 o 11 14.7966      0.986274    977.436   30.9458      1066.52   30.9458      90.4719   30.9458      
1 1 1 -43 5  16 o 14 8.75541      0.679559    791.859   -20.0945     750.198   -20.0945     12.7644   -20.0945     
1 1 1 -43 5  17 o 9  1.28849      0.417307    474.919   104.1        104.169   -75.9005     269.416   -75.9005     
1 1 1 -43 5  18 o 9  19.9253      1.01452     543.039   -86.5853     ?         ?            ?         ?            
1 1 1 -43 5  19 o 1  3.62268      1.24407     266.943   -115.652     ?         ?            ?         ?            
1 1 1 -43 5  20 o 8  1.03952      0.395212    446.394   67.6896      ?         ?            ?         ?            
1 1 1 -43 5  21 o 8  0.0652797    0.341336    405.21    167.101      ?         ?            ?         ?            
1 1 1 -43 7  1  o 12 23.2943      1.19254     1657.51   -177.68      987.749   -177.68      243.075   2.31994      
1 1 1 -43 7  2  o 19 13.0061      0.684504    423.669   18.1923      580.567   18.1923      102.264   18.1923      
1 1 1 -43 7  3  o 18 23.9821      1.45541     763.467   -39.2495     1537.89   -39.2495     429.996   -39.2495     
1 1 1 -43 7  4  o 17 20.15        0.945074    824.045   112.853      1286.95   112.853      276.683   112.853      
1 1 1 -43 7  5  o 2  2.63708      0.401979    645.398   -108.286     264.435   71.7144      420.757   71.7144      
1 1 1 -43 7  6  o 13 53.6427      2.0011      1659.22   54.9193      2335.79   54.9193      422.069   54.9193      
1 1 1 -43 7  7  o 4  48.4964      1.90914     1382.82   -52.3258     2402.92   -52.3258     576.574   -52.3258     
1 1 1 -43 7  8  f 0  41.291       1.56557     1706.72   -35.2098     1857.54   -35.2098     154.577   -35.2098     
1 1 1 -43 7  9  o 12 25.6411      1.13378     1274.11   -119.573     1461.69   -119.573     152.25    -119.573     
1 1 1 -43 7  10 f 0  16.9881      1.00752     712.251   137.064      1303.84   137.064      329.064   137.064      
1 1 1 -43 7  11 o 7  35.1435      1.3584      1373.3    -24.7743     1908.71   -24.7743     333.893   -24.7743     
1 1 1 -43 7  12 o 16 3.09071      0.4974      833.452   -155.591     126.482   24.409       439.254   24.409       
1 1 1 -43 7  13 o 18 7.66598      0.911016    415.295   -43.0938     714.346   -43.0938     169.089   -43.0938     
1 1 1 -43 7  14 o 6  1.58823      0.436126    648.831   72.4049      215.402   -107.595     404.088   -107.595     
1 1 1 -43 7  15 o 7  2.51046      0.54684     540.82    -11.8081     145.308   -11.8081     175.449   168.192      
1 1 1 -43 7  16 o 19 0.28484      0.345854    330.886   160.395      214.425   -19.6053     256.51    -19.6053     
1 1 1 -43 7  17 o 19 1.34879      0.38603     212.608   127.555      ?         ?            ?         ?            
1 1 1 -43 7  18 o 12 0.765296     0.350299    365.307   168.009      ?         ?            ?         ?            
1 1 1 -43 7  19 o 2  0.494697     0.331782    346.5     -75.3959     ?         ?            ?         ?            
1 1 1 -43 7  20 o 19 0.536669     0.382956    156.192   -149.952     ?         ?            ?         ?            
1 1 1 -43 9  1  o 18 5.81807      0.569275    940.704   151.214      ?         ?            ?         ?            
1 1 1 -43 9  2  o 14 5.14807      0.60189     527.592   60.6888      245.55    60.6888      116.26    -119.311     
1 1 1 -43 9  3  o 13 11.8644      0.853467    1126.92   -137.991     567.162   -137.991     226.958   42.0092      
1 1 1 -43 9  4  o 12 9.33306      0.666424    918.092   -20.2035     450.211   -20.2035     190.621   159.797      
1 1 1 -43 9  5  o 1  2.56089      0.44058     402.42    -64.6904     15.6307   115.31       189.871   115.31       
1 1 1 -43 9  6  o 8  2.60157      0.455867    340.303   155.95       85.4339   -24.0498     196.48    -24.0498     
1 1 1 -43 9  7  o 6  2.54841      0.647081    199.667   -19.7066     135.822   160.293      158.022   160.293      
1 1 1 -43 9  8  o 15 10.8952      0.774941    801.333   -138.049     839.171   -138.049     58.0649   -138.049     
1 1 1 -43 9  9  o 11 1.67073      0.465135    790.604   -42.0056     358.694   137.994      536.602   137.994      
1 1 1 -43 9  10 o 7  4.68556      0.715753    454.671   -71.518      335.949   -71.518      38.3908   108.482      
1 1 1 -43 9  11 o 1  5.50745      0.708128    43.289    95.2738      87.8819   95.2738      24.1652   95.2738      
1 1 1 -43 9  12 o 15 2.86901      0.543443    464.511   172.442      230.926   172.442      97.6795   -7.55762     
1 1 1 -43 9  13 o 17 1.31807      0.419526    232.497   -95.1475     7.1738    -95.1475     102.468   84.8525      
1 1 1 -43 9  14 o 17 6.57747      0.644176    429.231   26.154       835.696   26.154       226.959   26.154       
1 1 1 -43 9  15 o 19 3.59842      0.520225    558.528   -78.6927     ?         ?            ?         ?            
1 1 1 -43 9  16 o 7  2.14416      0.434492    147.248   -79.3791     ?         ?            ?         ?            
1 1 1 -43 9  17 o 17 0.864404     0.339662    273.782   87.5649      ?         ?            ?         ?            
1 1 1 -43 9  18 o 2  1.0561       0.491898    368.86    51.6181      ?         ?            ?         ?            
1 1 1 -43 11 1  o 3  1.14922      0.500578    693.189   -132.518     326.082   47.4824      480.059   47.4824      
1 1 1 -43 11 2  o 16 1.46189      0.451979    406.772   7.58716      ?         ?            ?         ?            
1 1 1 -43 11 3  o 1  4.99123      0.619084    750.486   -69.2266     324.434   -69.2266     180.847   110.773      
1 1 1 -43 11 4  o 9  16.6688      1.08185     920.195   106.667      1241.89   106.667      199.963   106.667      
1 1 1 -43 11 5  o 8  0.847962     0.437274    162.69    157.482      66.7289   -22.5183     107.892   -22.5183     
1 1 1 -43 11 6  o 16 10.5435      0.762791    721.962   13.7771      987.158   13.7771      162.416   13.7771      
1 1 1 -43 11 7  o 5  2.65631      0.712327    454.524   -100.537     164.261   -100.537     126.408   79.4627      
1 1 1 -43 11 8  o 13 1.74394      0.609727    187.785   151.139      65.0886   151.139      53.3698   -28.8609     
1 1 1 -43 11 9  o 1  0.636457     0.426447    492.383   63.8317      358.574   -116.168     402.578   -116.168     
1 1 1 -43 11 10 o 2  1.09995      0.434362    356.264   176.435      42.3027   -3.56494     179.807   -3.56494     
1 1 1 -43 11 11 o 12 1.43911      0.53042     415.112   146.228      68.4083   146.228      145.342   -33.7721     
1 1 1 -43 11 12 o 13 1.98895      0.502871    308.538   -54.9458     ?         ?            ?         ?            
1 1 1 -43 11 13 o 13 3.57491      0.623682    309.713   14.0968      ?         ?            ?         ?            
1 1 1 -43 11 14 f 0  2.97814      0.539311    247.379   143.371      ?         ?            ?         ?            
1 1 1 -43 11 15 o 19 -0.113386    0.434655    315.814   103.817      ?         ?            ?         ?            
1 1 1 -43 11 16 o 8  1.62021      0.821091    233.893   86.3065      ?         ?            ?         ?            
1 1 1 -43 13 1  o 8  2.52534      0.52619     553.696   -24.354      234.181   -24.354      113.694   155.646      
1 1 1 -43 13 2  o 9  3.49359      0.663803    555.238   -130.748     421.446   -130.748     21.4627   49.2524      
1 1 1 -43 13 3  o 8  4.34816      0.603756    374.849   72.6648      632.585   72.6648      159.648   72.6648      
1 1 1 -43 13 4  o 9  2.41847      0.485134    346.432   114.274      349.038   114.274      30.4165   114.274      
1 1 1 -43 13 5  o 1  2.07871      0.62663     421.063   -135.261     248.193   -135.261     49.6046   44.7394      
1 1 1 -43 13 6  o 4  -0.89588     0.275922    260.019   48.016       ?         ?            ?         ?            
1 1 1 -43 13 7  o 13 0.668985     0.497364    320.445   -57.1829     32.0171   122.817      145.057   122.817      
1 1 1 -43 13 8  o 9  2.152        0.483577    489.169   109.206      ?         ?            ?         ?            
1 1 1 -43 13 9  o 5  0.419005     0.388249    178.692   96.2754      ?         ?            ?         ?            
1 1 1 -43 13 10 o 5  2.5751       0.477615    628.366   -142.471     ?         ?            ?         ?            
1 1 1 -43 13 11 o 2  0.413311     0.43963     264.191   -172.672     ?         ?            ?         ?            
1 1 1 -43 13 12 o 14 1.32392      0.456046    424.559   63.4542      ?         ?            ?         ?            
1 1 1 -42 0  1  o 17 5.06763      0.77692     73.691    180          38.737    180          10.2298   3.35867e-14  
1 1 1 -42 0  2  o 6  5.98984      0.645914    209.312   180          154.755   180          6.75299   1.67816e-13  
1 1 1 -42 0  3  o 19 1.49006      0.569898    340.468   0            ?         ?            ?         ?            
1 1 1 -42 0  4  o 14 16.6313      1.19101     1359.83   180          892.878   180          99.4381   7.00214e-14  
1 1 1 -42 0  5  o 18 97.679       4.45372     2716.79   0            3214.34   0            518.062   0            
1 1 1 -42 0  6  o 12 2.42263      0.536906    102.234   0            22.2931   180          52.1034   180          
1 1 1 -42 0  7  o 15 -0.0543504   0.261914    85.6775   0            ?         ?            ?         ?            
1 1 1 -42 0  8  o 15 44.2194      4.66641     2183.12   180          1769.27   180          3.24859   180          
1 1 1 -42 0  9  o 8  8.5403       1.46056     808.315   180          567.818   180          46.5356   9.26332e-14  
1 1 1 -42 0  10 f 0  11.1283      1.0122      141.964   0            122.825   0            2.20834   0            
1 1 1 -42 0  11 o 19 1.54602      0.487964    146.931   0            ?         ?            ?         ?            
1 1 1 -42 0  12 o 4  2.85361      0.489599    235.099   0            ?         ?            ?         ?            
1 1 1 -42 0  13 o 11 28.0706      1.92316     1004.29   0            1991.46   0            544.35    0            
1 1 1 -42 0  14 o 15 11.9813      0.996835    1198.14   0            788.813   0            149.452   180          
1 1 1 -42 0  15 o 14 2.27642      0.570954    116.29    0            17.999    180          61.6984   180          
1 1 1 -42 0  16 o 2  8.88854      0.973232    724.814   0            653.558   0            0.240265  180          
1 1 1 -42 0  17 o 13 54.4908      2.57714     1469.85   0            2761.41   0            714.749   0            
1 1 1 -42 0  18 o 16 2.63739      0.68539     318.755   180          34.1524   5.29958e-14  163.126   5.54767e-15  
1 1 1 -42 0  19 o 7  32.595       2.00771     904.865   0            ?         ?            ?         ?            
1 1 1 -42 0  20 o 15 4.83629      0.82193     433.756   180          ?         ?            ?         ?            
1 1 1 -42 0  21 o 1  0.467249     1.19845     356.57    0            ?         ?            ?         ?            
1 1 1 -42 0  22 o 6  0.65394      0.48827     198.562   180          ?         ?            ?         ?            
1 1 1 -42 0  23 o 8  1.43628      0.55932     311.57    0            ?         ?            ?         ?            
1 1 1 -42 2  1  o 7  15.4016      0.846924    890.963   -94.3997     731.978   -94.3997     8.94376   -94.3997     
1 1 1 -42 2  2  o 5  32.2799      1.48728     1436.76   48.7683      1726.1    48.7683      287.117   48.7683      
1 1 1 -42 2  3  o 14 16.1167      0.972915    1193.48   134.709      810.146   134.709      73.2969   -45.2912     
1 1 1 -42 2  4  o 17 52.5162      1.84061     1767.23   -56.6253     2434.3    -56.6253     509.072   -56.6253     
1 1 1 -42 2  5  o 11 23.9361      1.22        1749.39   141.034      1041.79   141.034      179.986   -38.9661     
1 1 1 -42 2  6  o 13 9.78008      0.745763    233.76    110.519      275.756   110.519      44.0997   110.519      
1 1 1 -42 2  7  o 5  24.1098      1.14289     1822.72   -25.3663     880.815   -25.3663     293.966   154.634      
1 1 1 -42 2  8  o 1  12.583       0.777762    985.71    112.123      577.401   112.123      112.079   -67.8775     
1 1 1 -42 2  9  o 5  44.8995      1.51848     1614.86   12.409       2128.39   12.409       397.406   12.409       
1 1 1 -42 2  10 o 10 44.5757      1.93827     1337.82   60.3052      2114.46   60.3052      492.625   60.3052      
1 1 1 -42 2  11 o 2  5.60157      0.519585    631.564   -164.463     118.317   15.5375      332.701   15.5375      
1 1 1 -42 2  12 o 3  2.73208      0.389629    619.235   139.902      206.947   -40.0982     378.417   -40.0982     
1 1 1 -42 2  13 o 15 139.298      4.44717     2931.43   -21.2615     3811.22   -21.2615     581.503   -21.2615     
1 1 1 -42 2  14 o 12 2.76346      0.496271    539.124   35.55        76.5085   -144.45      283.088   -144.45      
1 1 1 -42 2  15 o 11 6.44691      0.647825    959.875   63.8375      162.705   63.8375      352.938   -116.162     
1 1 1 -42 2  16 o 18 21.6432      1.27696     1074.38   -52.8979     1455.43   -52.8979     242.991   -52.8979     
1 1 1 -42 2  17 o 7  16.2736      0.888353    1284.56   -134.201     925.544   -134.201     120.878   45.7994      
1 1 1 -42 2  18 o 17 25.1766      1.21268     563.641   149.348      2055.15   149.348      768.972   149.348      
1 1 1 -42 2  19 f 0  10.1446      0.790433    861.182   95.3994      ?         ?            ?         ?            
1 1 1 -42 2  20 o 18 3.59377      0.452072    271.53    -4.20627     ?         ?            ?         ?            
1 1 1 -42 2  21 o 6  -0.0954252   0.328386    168.858   133.337      ?         ?            ?         ?            
1 1 1 -42 2  22 o 16 0.727271     0.379551    195.184   62.3806      ?         ?            ?         ?            
1 1 1 -42 2  23 o 17 1.60195      0.407692    140.032   110.999      ?         ?            ?         ?            
1 1 1 -42 4  1  o 13 61.7733      2.22372     2017.79   138.775      2393.37   138.775      382.411   138.775      
1 1 1 -42 4  2  o 17 36.7967      1.20591     1316.57   -91.7338     2082.34   -91.7338     510.476   -91.7338     
1 1 1 -42 4  3  o 14 33.3965      1.42905     1787.59   -29.7808     1562.44   -29.7808     60.4244   -29.7808     
1 1 1 -42 4  4  o 1  51.3851      1.92193     1603.77   -154.382     2376.2    -154.382     540.207   -154.382     
1 1 1 -42 4  5  o 16 21.4968      1.01191     1596.29   105.316      1007.12   105.316      143.887   -74.6844     
1 1 1 -42 4  6  o 3  7.43036      0.670173    456.616   -20.2134     ?         ?            ?         ?            
1 1 1 -42 4  7  o 9  24.4425      1.41608     1207.32   -42.2322     1376.31   -42.2322     189.61    -42.2322     
1 1 1 -42 4  8  o 1  10.3971      0.756688    1031.94   40.6859      535.824   40.6859      164.895   -139.314     
1 1 1 -42 4  9  o 13 33.3665      1.57526     1248.09   -49.5228     1778.73   -49.5228     355.444   -49.5228     
1 1 1 -42 4  10 o 15 23.4403      1.32914     976.713   -12.7711     1398.64   -12.7711     272.24    -12.7711     
1 1 1 -42 4  11 o 10 100.94       3.62791     2171.03   145.187      3469.52   145.187      766.155   145.187      
1 1 1 -42 4  12 o 17 5.48624      0.570224    942.314   104.465      96.0697   104.465      378.135   -75.5348     
1 1 1 -42 4  13 o 18 14.8268      0.785392    648.267   -131.046     1093.62   -131.046     252.412   -131.046     
1 1 1 -42 4  14 o 15 32.9105      1.43816     1502.7    147.33       1650.15   147.33       144.976   147.33       
1 1 1 -42 4  15 o 10 2.25957      0.443953    418.155   73.2934      41.5483   -106.707     209.415   -106.707     
1 1 1 -42 4  16 o 19 2.67286      0.435974    475.398   158.296      20.4477   158.296      205.329   -21.7036     
1 1 1 -42 4  17 o 14 10.308       0.929121    414.488   -24.2895     1035.77   -24.2895     327.962   -24.2895     
1 1 1 -42 4  18 o 6  2.80644      0.49102     196.635   155.96       ?         ?            ?         ?            
1 1 1 -42 4  19 o 13 1.74282      0.378075    590.461   68.0514      ?         ?            ?         ?            
1 1 1 -42 4  20 o 16 1.86338      0.400467    624.188   -107.246     ?         ?            ?         ?            
1 1 1 -42 4  21 o 17 1.38418      0.411593    27.844    96.9057      ?         ?            ?         ?            
1 1 1 -42 4  22 o 4  1.5519       0.398788    162.515   -97.5956     ?         ?            ?         ?            
1 1 1 -42 6  1  o 1  50.7815      2.10315     1463.28   146.019      2495.01   146.019      626.876   146.019      
1 1 1 -42 6  2  o 9  2.642        0.595629    213.173   -62.5992     170.081   117.401      175.232   117.401      
1 1 1 -42 6  3  o 13 10.175       0.691667    677.817   62.0903      419.639   62.0903      77.1663   -117.91      
1 1 1 -42 6  4  o 2  5.16587      0.535331    412.294   159.977      94.8182   159.977      127.84    -20.0234     
1 1 1 -42 6  5  o 15 13.9586      0.800191    568.403   -139.38      804.037   -139.38      158.693   -139.38      
1 1 1 -42 6  6  o 6  0.636325     0.300641    248.263   -152.347     ?         ?            ?         ?            
1 1 1 -42 6  7  o 13 84.5414      2.7317      1930.82   117.34       3204.14   117.34       756.734   117.34       
1 1 1 -42 6  8  o 6  1.74097      0.39095     512.035   166.183      263.203   -13.8174     358.789   -13.8174     
1 1 1 -42 6  9  o 10 13.9492      0.817244    819.491   -90.0387     794.011   -90.0387     28.9596   -90.0387     
1 1 1 -42 6  10 o 4  39.6615      1.46443     1760.55   1.99208      1683.47   1.99208      44.3996   1.99208      
1 1 1 -42 6  11 f 0  70.448       2.48658     2109.22   156.721      2610.25   156.721      347.258   156.721      
1 1 1 -42 6  12 o 18 5.41306      0.580468    612.144   -153.991     139.988   -153.991     207.325   26.0095      
1 1 1 -42 6  13 f 0  2.37906      0.432183    673.927   -125.868     155.329   54.1325      381.839   54.1325      
1 1 1 -42 6  14 o 17 12.3208      1.0089      826.925   -77.6042     989.222   -77.6042     121.03    -77.6042     
1 1 1 -42 6  15 o 4  5.33823      0.541596    315.552   -103.196     397.59    -103.196     55.0575   -103.196     
1 1 1 -42 6  16 o 9  5.78115      0.553276    618.242   83.3985      538.903   83.3985      14.2395   -96.6015     
1 1 1 -42 6  17 o 15 12.6818      0.945208    765.998   -15.8615     ?         ?            ?         ?            
1 1 1 -42 6  18 o 18 1.31073      0.383632    409.47    99.7585      ?         ?            ?         ?            
1 1 1 -42 6  19 o 8  3.28292      0.462878    255.347   36.5331      ?         ?            ?         ?            
1 1 1 -42 6  20 o 15 0.919791     0.361612    689.944   -93.7828     ?         ?            ?         ?            
1 1 1 -42 6  21 o 2  0.355224     0.468739    131.837   135.767      ?         ?            ?         ?            
1 1 1 -42 8  1  o 17 4.16698      0.502005    604.456   29.1684      107.07    -150.832     326.75    -150.832     
1 1 1 -42 8  2  o 5  19.5859      0.98522     1369.61   -160.67      899.842   -160.67      168.645   19.3301      
1 1 1 -42 8  3  o 17 13.4756      0.769659    1068.94   41.8146      439.317   41.8146      263.232   -138.185     
1 1 1 -42 8  4  o 17 19.7413      0.968309    696.114   -108.271     1352.24   -108.271     361.269   -108.271     
1 1 1 -42 8  5  o 18 2.00324      0.525915    491.496   -165.344     210.906   14.6561      328.148   14.6561      
1 1 1 -42 8  6  o 7  37.1335      1.58102     1197.48   152.832      2033.81   152.832      473.451   152.832      
1 1 1 -42 8  7  o 3  10.6016      0.75047     703.491   -30.3477     734.371   -30.3477     47.7066   -30.3477     
1 1 1 -42 8  8  o 6  0.545196     0.359068    723.541   17.3016      621.263   -162.698     638.916   -162.698     
1 1 1 -42 8  9  o 2  13.6452      0.823591    799.872   -70.6216     973.274   -70.6216     124.589   -70.6216     
1 1 1 -42 8  10 o 13 3.92062      0.514805    242.995   38.7558      135.222   38.7558      42.0877   -141.244     
1 1 1 -42 8  11 f 0  23.3109      1.14641     1145.11   156.041      1496.43   156.041      231.487   156.041      
1 1 1 -42 8  12 o 3  4.78642      0.696535    888.265   -62.8535     220.591   -62.8535     292.177   117.146      
1 1 1 -42 8  13 o 15 7.03948      0.721645    593.436   -153.415     699.237   -153.415     78.5877   -153.415     
1 1 1 -42 8  14 o 15 7.51623      0.683849    791.287   146.778      659.729   146.778      33.2188   -33.2221     
1 1 1 -42 8  15 o 7  9.54883      0.693628    796.907   33.9343      881.861   33.9343      79.6906   33.9343      
1 1 1 -42 8  16 o 6  9.48859      0.740849    389.995   17.1061      ?         ?            ?         ?            
1 1 1 -42 8  17 o 11 1.16028      0.346104    329.944   -153.965     ?         ?            ?         ?            
1 1 1 -42 8  18 o 13 0.573837     0.342429    174.646   92.9405      ?         ?            ?         ?            
1 1 1 -42 8  19 o 14 1.04144      0.435756    79.2908   129.098      ?         ?            ?         ?            
1 1 1 -42 8  20 o 3  0.835926     0.337492    410.336   -73.532      ?         ?            ?         ?            
1 1 1 -42 10 1  o 1  3.87092      0.545284    164.321   -75.124      41.5172   -75.124      53.371    104.876      
1 1 1 -42 10 2  o 13 2.13498      0.431269    167.56    -93.0976     ?         ?            ?         ?            
1 1 1 -42 10 3  o 9  2.68017      0.518332    485.549   39.76        369.376   -140.24      403.733   -140.24      
1 1 1 -42 10 4  o 6  9.44913      0.686617    700.98    -110.941     743.013   -110.941     55.2688   -110.941     
1 1 1 -42 10 5  o 3  1.75096      0.432486    499.66    174.549      428.273   -5.45131     439.61    -5.45131     
1 1 1 -42 10 6  o 15 3.95715      0.547874    612.79    -37.0832     123.519   -37.0832     215.015   142.917      
1 1 1 -42 10 7  o 6  11.2264      0.790715    324.846   50.0476      974.119   50.0476      340.033   50.0476      
1 1 1 -42 10 8  o 4  0.595485     0.417864    221.108   -70.0334     145.388   109.967      173.137   109.967      
1 1 1 -42 10 9  o 1  6.40163      0.844164    568.904   -58.5919     609.892   -58.5919     45.2148   -58.5919     
1 1 1 -42 10 10 o 17 8.64161      0.802334    618.872   -6.63955     865.5     -6.63955     148.964   -6.63955     
1 1 1 -42 10 11 o 1  0.396948     0.408152    411.888   -27.3344     260.303   152.666      318.899   152.666      
1 1 1 -42 10 12 o 10 1.20201      0.503446    85.7621   105.644      5.72705   105.644      35.9534   -74.3562     
1 1 1 -42 10 13 o 15 1.10243      0.514675    564.01    -117.438     109.518   62.5619      302.579   62.5619      
1 1 1 -42 10 14 o 7  2.29619      0.535181    241.965   -94.6475     ?         ?            ?         ?            
1 1 1 -42 10 15 f 0  4.58496      0.644368    433.854   -95.0427     ?         ?            ?         ?            
1 1 1 -42 10 16 o 17 1.05544      0.46004     155.336   -50.4608     ?         ?            ?         ?            
1 1 1 -42 10 17 o 7  1.47343      0.523578    208.018   -123.365     ?         ?            ?         ?            
1 1 1 -42 10 18 o 12 0.672231     0.415       276.174   8.46188      ?         ?            ?         ?            
1 1 1 -42 12 1  o 11 5.22132      0.780708    1160.88   -49.5321     116.252   -49.5321     471.348   130.468      
1 1 1 -42 12 2  o 8  4.35902      0.605505    709.631   -85.3736     356.073   -85.3736     145.949   94.6264      
1 1 1 -42 12 3  o 19 3.1767       0.552333    611.384   -48.5458     252.502   -48.5458     152.8     131.454      
1 1 1 -42 12 4  o 13 2.1163       0.527859    484.04    -76.4718     102.683   -76.4718     169.214   103.528      
1 1 1 -42 12 5  o 18 0.893632     0.490104    533.389   -148.308     255.327   31.6924      369.805   31.6924      
1 1 1 -42 12 6  o 16 0.375484     0.460148    114.859   4.91768      98.3252   -175.082     100.949   -175.082     
1 1 1 -42 12 7  o 14 1.60842      0.602745    329.695   -16.0945     70.6865   -16.0945     111.603   163.906      
1 1 1 -42 12 8  o 19 3.61032      0.543215    425.551   5.26818      482.04    5.26818      54.6777   5.26818      
1 1 1 -42 12 9  o 5  0.858848     0.400644    295.948   -61.7523     75.9802   118.248      164.458   118.248      
1 1 1 -42 12 10 o 1  2.65469      0.51753     613.365   84.8849      276.194   84.8849      116.504   -95.1151     
1 1 1 -42 12 11 o 7  0.816353     0.444727    313.708   -102.146     ?         ?            ?         ?            
1 1 1 -42 12 12 o 13 2.51258      0.564735    206.547   -5.09657     ?         ?            ?         ?            
1 1 1 -42 12 13 o 2  0.416986     0.618252    103.882   67.3365      ?         ?            ?         ?            
1 1 1 -42 12 14 o 9  0.29846      0.407165    48.5072   -17.4181     ?         ?            ?         ?            
1 1 1 -42 12 15 o 17 -0.444439    0.457049    60.7507   55.2877      ?         ?            ?         ?            
1 1 1 -42 14 1  o 7  0.825025     0.410953    226.911   122.401      43.9867   122.401      67.3093   -57.5991     
1 1 1 -42 14 2  o 5  1.1018       0.451085    277.596   -19.5553     102.729   -19.5553     58.0022   160.445      
1 1 1 -42 14 3  o 13 0.811609     0.511392    81.8322   -60.7528     1.63132   119.247      33.0456   119.247      
1 1 1 -42 14 4  o 8  0.997397     0.470021    199.796   -145.266     66.2789   -145.266     45.4205   34.7336      
1 1 1 -42 14 5  f 0  1.28445      0.469429    245.538   -154.3       165.992   -154.3       13.2701   25.6995      
1 1 1 -42 14 6  o 8  0.433182     0.434552    108.49    68.4721      ?         ?            ?         ?            
1 1 1 -42 14 7  o 5  0.832825     0.422076    112.804   22.0614      ?         ?            ?         ?            
1 1 1 -42 14 8  o 9  0.0722832    0.397556    430.892   -29.849      ?         ?            ?         ?            
1 1 1 -42 14 9  o 3  0.575287     0.469115    120.044   109.741      ?         ?            ?         ?            
1 1 1 -42 14 10 o 14 1.26306      0.457619    79.5065   -16.6025     ?         ?            ?         ?            
1 1 1 -41 1  1  o 19 3.31408      0.435381    164.763   54.7793      ?         ?            ?         ?            
1 1 1 -41 1  2  o 19 20.8525      1.03446     1108.8    -124.801     930.694   -124.801     18.1572   -124.801     
1 1 1 -41 1  3  o 10 27.608       1.22889     1308.34   92.7178      1572      92.7178      258.523   92.7178      
1 1 1 -41 1  4  o 8  11.982       0.637985    922.465   -11.6432     784.076   -11.6432     20.7132   -11.6432     
1 1 1 -41 1  5  o 9  14.868       0.813473    888.937   79.1553      990.885   79.1553      138.429   79.1553      
1 1 1 -41 1  6  o 13 2.03371      0.381802    1003.6    -122.465     ?         ?            ?         ?            
1 1 1 -41 1  7  o 9  2.131        0.424731    555.734   77.7932      ?         ?            ?         ?            
1 1 1 -41 1  8  o 5  24.5272      1.17968     1330.93   -68.0982     1371.67   -68.0982     150.436   -68.0982     
1 1 1 -41 1  9  o 3  26.2855      1.20638     1656.78   -134.263     1107.35   -134.263     119.689   45.7373      
1 1 1 -41 1  10 o 12 10.3083      0.613152    206.006   4.35908      91.77     4.35908      39.3862   -175.641     
1 1 1 -41 1  11 o 2  12.5978      0.7843      840.001   140.584      440.498   140.584      136.438   -39.4164     
1 1 1 -41 1  12 o 2  71.6502      2.57098     1998.83   -177.816     2802.77   -177.816     528.04    -177.816     
1 1 1 -41 1  13 o 16 28.9163      1.39745     1335.27   179.192      1440.25   179.192      122.357   179.192      
1 1 1 -41 1  14 o 8  3.93712      0.477622    449.693   -125.44      104.062   54.5604      255.968   54.5604      
1 1 1 -41 1  15 o 13 4.29943      0.529877    268.867   107.437      50.2932   107.437      96.799    -72.5628     
1 1 1 -41 1  16 o 14 2.16671      0.408839    153.354   -94.246      30.2457   85.754       84.3379   85.754       
1 1 1 -41 1  17 o 9  12.9952      0.700858    525.668   167.751      1136.21   167.751      330.259   167.751      
1 1 1 -41 1  18 o 8  18.7341      0.978075    1014.99   -106.253     1265.2    -106.253     168.112   -106.253     
1 1 1 -41 1  19 o 6  2.60457      0.505275    351.741   84.6715      ?         ?            ?         ?            
1 1 1 -41 1  20 o 6  1.02437      0.442614    318.844   66.2125      ?         ?            ?         ?            
1 1 1 -41 1  21 o 2  15.5681      0.930375    528.383   36.4202      ?         ?            ?         ?            
1 1 1 -41 1  22 o 13 1.54716      0.38867     224.208   -66.5187     ?         ?            ?         ?            
1 1 1 -41 1  23 o 9  0.916968     0.468267    235.983   140.34       ?         ?            ?         ?            
1 1 1 -41 3  1  o 15 37.1075      1.46939     1663.6    -51.5319     1692.78   -51.5319     179.853   -51.5319     
1 1 1 -41 3  2  o 6  11.9057      0.725305    1090.9    134.716      389.981   134.716      242.167   -45.2842     
1 1 1 -41 3  3  o 17 20.0903      1.03315     1017.91   -128.171     1198.74   -128.171     191.493   -128.171     
1 1 1 -41 3  4  o 19 28.4189      1.15614     1585.41   76.3323      1493.05   76.3323      111.376   76.3323      
1 1 1 -41 3  5  o 6  2.11892      0.357433    819.146   121.755      312.969   -58.2452     484.746   -58.2452     
1 1 1 -41 3  6  o 16 64.3525      2.12743     2101.38   137.263      2492.73   137.263      402.657   137.263      
1 1 1 -41 3  7  o 5  16.5242      0.91905     597.46    -130.415     645.429   -130.415     81.6062   -130.415     
1 1 1 -41 3  8  o 1  64.3095      2.30838     2250.2    -134.055     2458.91   -134.055     312.179   -134.055     
1 1 1 -41 3  9  o 7  7.78861      0.729129    637.886   23.7729      366.937   23.7729      80.8492   -156.227     
1 1 1 -41 3  10 f 0  3.41935      0.403766    78.7228   15.3644      47.1758   -164.636     56.9484   -164.636     
1 1 1 -41 3  11 o 17 18.8693      0.898841    1090.34   15.5829      1008.07   15.5829      29.8795   15.5829      
1 1 1 -41 3  12 o 10 43.6951      2.15137     1787.97   -140.427     1913.74   -140.427     160.567   -140.427     
1 1 1 -41 3  13 o 16 20.5096      0.999514    469.745   106.944      1339.32   106.944      457.174   106.944      
1 1 1 -41 3  14 o 1  6.57209      0.536631    707.676   -42.892      198.609   -42.892      222.035   137.108      
1 1 1 -41 3  15 o 18 5.53774      0.784032    573.9     -119.423     208.002   -119.423     155.492   60.5772      
1 1 1 -41 3  16 o 9  11.3372      0.714753    760.113   88.5551      942.064   88.5551      128.008   88.5551      
1 1 1 -41 3  17 o 19 1.40155      0.49712     354.079   37.9606      ?         ?            ?         ?            
1 1 1 -41 3  18 o 4  12.1736      0.813257    649.615   98.4571      1154      98.4571      278.912   98.4571      
1 1 1 -41 3  19 o 19 14.6822      0.786201    418.365   -86.063      ?         ?            ?         ?            
1 1 1 -41 3  20 o 2  3.382        0.4487      325.519   73.4344      ?         ?            ?         ?            
1 1 1 -41 3  21 o 5  3.21118      0.454421    348.925   80.4728      ?         ?            ?         ?            
1 1 1 -41 3  22 o 6  1.33771      0.360604    247.275   7.91402      ?         ?            ?         ?            
1 1 1 -41 5  1  f 0  0.539746     0.288058    820.115   -42.5751     ?         ?            ?         ?            
1 1 1 -41 5  2  o 1  20.3658      0.914126    485.082   130.363      1309.27   130.363      457.491   130.363      
1 1 1 -41 5  3  f 0  24.618       1.01177     1122.3    -74.1656     1544.19   -74.1656     315.7     -74.1656     
1 1 1 -41 5  4  o 16 86.5271      2.92412     2150.75   -44.2934     3189.26   -44.2934     717.537   -44.2934     
1 1 1 -41 5  5  o 14 1.26787      0.504001    306.038   45.5287      199.647   -134.471     225.319   -134.471     
1 1 1 -41 5  6  o 2  3.3616       0.506793    455.005   78.9663      149.347   -101.034     262.919   -101.034     
1 1 1 -41 5  7  o 12 20.6378      1.27101     1150.64   -93.0423     1242.07   -93.0423     138.854   -93.0423     
1 1 1 -41 5  8  o 8  46.686       1.80496     1627.46   100.842      2211.76   100.842      412.37    100.842      
1 1 1 -41 5  9  o 12 102.859      3.31183     3123.87   42.8302      2822.9    42.8302      54.0315   42.8302      
1 1 1 -41 5  10 o 15 2.45484      0.436144    459.981   56.5113      181.53    -123.489     294.592   -123.489     
1 1 1 -41 5  11 o 12 137.328      4.84926     2988.02   -7.94948     3710.2    -7.94948     510.121   -7.94948     
1 1 1 -41 5  12 o 3  52.0354      1.84354     1573.99   19.9883      2387.75   19.9883      479.63    19.9883      
1 1 1 -41 5  13 o 9  0.510989     0.319361    648.358   124.572      ?         ?            ?         ?            
1 1 1 -41 5  14 o 9  1.73842      0.390648    598.126   128.676      295.93    -51.3237     418.116   -51.3237     
1 1 1 -41 5  15 o 18 1.90065      0.393134    746.825   -141.52      234.013   38.4796      454.213   38.4796      
1 1 1 -41 5  16 o 2  1.46683      0.488651    554.364   -89.1917     ?         ?            ?         ?            
1 1 1 -41 5  17 o 18 13.6093      0.786196    818.521   134.632      1152.25   134.632      200.528   134.632      
1 1 1 -41 5  18 o 19 3.288        0.472112    466.163   57.0264      ?         ?            ?         ?            
1 1 1 -41 5  19 o 9  0.682397     0.501371    426.103   -78.0191     ?         ?            ?         ?            
1 1 1 -41 5  20 o 19 1.7025       0.513457    222.899   86.0643      ?         ?            ?         ?            
1 1 1 -41 5  21 o 19 1.82851      0.427799    197.871   -110.748     ?         ?            ?         ?            
1 1 1 -41 5  22 o 4  2.40542      0.416251    264.553   -40.5563     ?         ?            ?         ?            
1 1 1 -41 7  1  o 4  36.1991      1.69464     1984.05   -61.9118     1359.94   -61.9118     183.953   118.088      
1 1 1 -41 7  2  o 2  44.3734      1.76148     1419.41   175.924      2205.52   175.924      486.011   175.924      
1 1 1 -41 7  3  o 14 11.8444      0.913481    1000.88   -78.3444     623.964   -78.3444     123.273   101.656      
1 1 1 -41 7  4  o 8  18.2268      0.865862    1086.99   -22.1905     863.516   -22.1905     42.7085   157.81       
1 1 1 -41 7  5  f 0  8.15547      0.606338    664.305   -125.24      376.345   -125.24      103.638   54.76        
1 1 1 -41 7  6  o 1  3.45813      0.445891    1187.93   -15.9724     526.346   164.028      789.356   164.028      
1 1 1 -41 7  7  o 17 28.2195      1.30252     1390.2    -166.802     1298.14   -166.802     27.6154   -166.802     
1 1 1 -41 7  8  o 16 54.6509      1.99697     1740.13   157.952      2339.84   157.952      385.481   157.952      
1 1 1 -41 7  9  o 7  17.9491      0.998587    1255.6    40.183       991.78    40.183       73.3762   -139.817     
1 1 1 -41 7  10 o 7  12.3103      0.954017    742.988   -1.22403     902.967   -1.22403     114.08    -1.22403     
1 1 1 -41 7  11 o 8  11.1987      0.691593    304.372   120.337      747.116   120.337      235.656   120.337      
1 1 1 -41 7  12 o 17 7.97588      0.629933    714.343   150.594      604.173   150.594      20.4225   -29.4056     
1 1 1 -41 7  13 o 3  3.95912      0.676615    414.112   -173.667     236.836   -173.667     68.5271   6.33302      
1 1 1 -41 7  14 o 14 1.82252      0.40935     439.945   -104.524     54.2859   75.4759      227.047   75.4759      
1 1 1 -41 7  15 o 8  8.19401      0.756956    671.539   162.701      783.267   162.701      83.8031   162.701      
1 1 1 -41 7  16 o 11 11.0234      0.722809    405.931   -77.0139     1230.72   -77.0139     430.067   -77.0139     
1 1 1 -41 7  17 o 5  0.720336     0.346426    319.47    49.82        ?         ?            ?         ?            
1 1 1 -41 7  18 o 14 0.0254718    0.302019    203.759   105.909      ?         ?            ?         ?            
1 1 1 -41 7  19 o 13 1.97309      0.388536    422.056   72.9944      ?         ?            ?         ?            
1 1 1 -41 7  20 o 1  0.893049     0.350168    124.212   -9.87736     ?         ?            ?         ?            
1 1 1 -41 7  21 o 12 1.24334      0.413913    145.833   -34.2648     ?         ?            ?         ?            
1 1 1 -41 9  1  o 9  4.85668      0.530919    522.663   159.389      164.198   159.389      155.224   -20.611      
1 1 1 -41 9  2  o 14 23.5865      1.25906     963.133   -85.4163     1565.29   -85.4163     345.283   -85.4163     
1 1 1 -41 9  3  o 1  7.31328      0.585973    150.913   -68.3807     172.653   -68.3807     17.7981   -68.3807     
1 1 1 -41 9  4  o 2  5.69332      0.56287     458.117   -136.058     249.359   -136.058     83.3063   43.9423      
1 1 1 -41 9  5  o 12 16.7794      0.943271    576.578   -65.704      1268.15   -65.704      372.453   -65.704      
1 1 1 -41 9  6  o 5  21.8194      1.06577     811.457   -148.896     1549.63   -148.896     407.046   -148.896     
1 1 1 -41 9  7  o 4  5.81617      0.652737    961.899   43.118       26.0355   -136.882     448.194   -136.882     
1 1 1 -41 9  8  f 0  2.77138      0.459376    399.804   69.8714      77.9413   -110.129     219.499   -110.129     
1 1 1 -41 9  9  o 13 1.89087      0.415467    504.773   24.2183      137.641   -155.782     296.537   -155.782     
1 1 1 -41 9  10 o 19 1.42438      0.604622    398.177   -99.2208     242.111   80.7792      300.99    80.7792      
1 1 1 -41 9  11 o 14 10.9123      1.67009     528.679   129.757      1013.5    129.757      266.57    129.757      
1 1 1 -41 9  12 o 9  2.89625      0.548835    317.767   32.4801      211.595   32.4801      39.6045   -147.52      
1 1 1 -41 9  13 o 13 0.17202      0.374767    221.255   -34.3865     ?         ?            ?         ?            
1 1 1 -41 9  14 f 0  17.4475      1.17282     1531.78   -113.098     866.378   -113.098     260.1     66.9023      
1 1 1 -41 9  15 o 7  5.96557      0.660823    783.188   127.824      ?         ?            ?         ?            
1 1 1 -41 9  16 o 1  1.93713      0.431673    299.647   106.252      ?         ?            ?         ?            
1 1 1 -41 9  17 o 7  0.161163     0.316654    125.666   102.886      ?         ?            ?         ?            
1 1 1 -41 9  18 o 7  1.80866      0.511365    486.174   -153.558     ?         ?            ?         ?            
1 1 1 -41 9  19 o 6  1.24635      0.366284    292.543   -160.634     ?         ?            ?         ?            
1 1 1 -41 11 1  o 7  3.94062      0.504638    566.755   172.072      202.164   172.072      156.484   -7.9284      
1 1 1 -41 11 2  o 3  2.98109      0.496501    485.465   133.017      317.801   -46.9835     379.399   -46.9835     
1 1 1 -41 11 3  o 8  1.07124      0.449668    88.435    171.296      ?         ?            ?         ?            
1 1 1 -41 11 4  f 0  3.16232      0.55493     652.073   -49.9871     151.095   130.013      372.087   130.013      
1 1 1 -41 11 5  o 11 1.1514       0.474854    266.161   -120.752     80.2836   59.2477      161.407   59.2477      
1 1 1 -41 11 6  o 4  4.83163      0.548844    481.377   -160.595     462.33    -160.595     11.2776   -160.595     
1 1 1 -41 11 7  o 8  4.1406       0.570246    717.587   174.139      240.021   174.139      208.703   -5.86137     
1 1 1 -41 11 8  o 7  1.99151      0.526644    331.396   -7.85319     80.5438   -7.85319     111.794   172.147      
1 1 1 -41 11 9  o 9  9.83536      0.798805    741.587   153.38       886.633   153.38       103.738   153.38       
1 1 1 -41 11 10 o 3  1.98766      0.511087    378.363   -25.9712     152.1     -25.9712     95.5022   154.029      
1 1 1 -41 11 11 o 5  3.68386      0.790253    573.191   29.7061      345.215   29.7061      81.6811   -150.294     
1 1 1 -41 11 12 o 18 0.739588     0.402543    331.454   -154.146     98.6568   25.8539      191.37    25.8539      
1 1 1 -41 11 13 o 5  2.7292       0.484337    604.33    130.682      ?         ?            ?         ?            
1 1 1 -41 11 14 o 7  0.635831     0.374414    177.028   -57.375      ?         ?            ?         ?            
1 1 1 -41 11 15 o 18 2.21887      0.483432    263.047   -7.14304     ?         ?            ?         ?            
1 1 1 -41 11 16 o 13 0.521943     0.462423    224.41    -117.376     ?         ?            ?         ?            
1 1 1 -41 13 1  o 16 0.808365     0.430001    217.213   94.3273      64.1485   -85.6727     125.606   -85.6727     
1 1 1 -41 13 2  o 16 -0.0796761   0.45845     178.941   -104.95      ?         ?            ?         ?            
1 1 1 -41 13 3  o 1  1.20037      0.43496     76.2596   75.1188      18.7505   75.1188      23.5195   -104.881     
1 1 1 -41 13 4  o 11 0.0968688    0.351717    160.502   -34.7935     99.1445   145.206      118.45    145.206      
1 1 1 -41 13 5  o 9  3.29739      0.578873    476.857   47.6274      402.352   47.6274      1.57347   -132.373     
1 1 1 -41 13 6  o 13 1.09653      0.499528    347.231   159.562      24.8092   159.562      133.276   -20.4384     
1 1 1 -41 13 7  o 17 2.33729      0.500347    292.241   30.3509      328.982   30.3509      43.9069   30.3509      
1 1 1 -41 13 8  o 12 1.64904      0.42591     421.891   -98.1658     190.538   -98.1658     75.6925   81.8342      
1 1 1 -41 13 9  o 15 0.000467495  0.362469    245.972   5.16194      ?         ?            ?         ?            
1 1 1 -41 13 10 o 10 0.914346     0.442787    583.74    61.9693      ?         ?            ?         ?            
1 1 1 -41 13 11 o 7  0.438949     0.370935    360.479   48.6128      ?         ?            ?         ?            
1 1 1 -41 13 12 o 16 1.37893      0.398424    208.239   -53.5657     ?         ?            ?         ?            
1 1 1 -41 13 13 o 4  1.19337      0.389412    193.78    -105.791     ?         ?            ?         ?            
1 1 1 -41 15 1  o 9  0.671687     0.457515    131.678   175.526      43.3949   175.526      27.6904   -4.47418     
1 1 1 -41 15 2  o 5  0.557341     0.402546    114.609   -50.1919     ?         ?            ?         ?            
1 1 1 -41 15 3  o 16 -0.166506    0.474582    215.312   22.7295      ?         ?            ?         ?            
1 1 1 -41 15 4  o 2  0.816963     0.415541    58.985    140.025      ?         ?            ?         ?            
1 1 1 -41 15 5  o 7  0.143389     0.36951     177.05    -113.483     ?         ?            ?         ?            
1 1 1 -41 15 6  o 1  1.38584      0.473336    291.41    -121.465     ?         ?            ?         ?            
1 1 1 -40 0  1  o 10 0.761152     0.366999    455.515   0            293.888   180          331.809   180          
1 1 1 -40 0  2  o 13 3.6283       0.56041     354.873   180          13.0389   1.48166e-13  150.704   6.40962e-15  
1 1 1 -40 0  3  o 17 1.25702      0.375835    961.577   180          509.732   3.73307e-15  645.328   1.47434e-15  
1 1 1 -40 0  4  o 12 7.84401      0.747145    421.575   180          531.516   180          94.951    180          
1 1 1 -40 0  5  o 11 31.7482      2.13195     1112.43   180          2173.81   180          637.777   180          
1 1 1 -40 0  6  f 0  2.75953      0.824559    250.191   180          19.0399   6.71328e-14  110.122   5.80354e-15  
1 1 1 -40 0  7  o 12 10.5817      0.909537    915.312   0            ?         ?            ?         ?            
1 1 1 -40 0  8  o 14 39.8819      1.94052     1057.16   180          2642.69   180          897.59    180          
1 1 1 -40 0  9  o 13 1.10616      0.657227    9.55693   180          ?         ?            ?         ?            
1 1 1 -40 0  10 o 13 1.95008      0.432948    214.325   180          ?         ?            ?         ?            
1 1 1 -40 0  11 o 10 8.14179      1.01191     1013.52   0            817.365   180          833.241   180          
1 1 1 -40 0  12 o 10 11.4427      0.910832    919.176   0            282.595   0            255.276   180          
1 1 1 -40 0  13 o 8  3.42281      0.595653    221.111   0            93.6983   180          144.988   180          
1 1 1 -40 0  14 o 5  16.4237      1.58248     514.278   0            1291.28   0            413.121   0            
1 1 1 -40 0  15 o 18 7.01131      0.751453    1004.61   180          374.325   180          268.971   1.67818e-14  
1 1 1 -40 0  16 o 10 8.26639      0.861421    1323.78   180          330.581   180          432.9     1.2375e-14   
1 1 1 -40 0  17 o 7  4.86827      0.730496    824.502   0            277.371   0            233.675   180          
1 1 1 -40 0  18 o 12 52.6948      2.18422     1365.24   180          2790.52   180          772.26    180          
1 1 1 -40 0  19 o 10 15.8214      1.26409     1068.95   180          1190.47   180          105.47    180          
1 1 1 -40 0  20 o 15 0.350293     0.519195    577.201   0            ?         ?            ?         ?            
1 1 1 -40 0  21 o 9  11.8516      1.18679     131.614   180          ?         ?            ?         ?            
1 1 1 -40 0  22 o 13 0.389787     0.979873    149.481   180          ?         ?            ?         ?            
1 1 1 -40 0  23 o 7  0.186564     0.460855    287.684   180          ?         ?            ?         ?            
1 1 1 -40 2  1  o 19 36.3064      1.42976     1821.56   149.566      1725.54   149.566      127.832   149.566      
1 1 1 -40 2  2  o 13 11.1569      0.690125    455.307   29.3943      695.827   29.3943      164.042   29.3943      
1 1 1 -40 2  3  o 6  42.9529      1.30908     1794.58   -148.566     1996.1    -148.566     273.668   -148.566     
1 1 1 -40 2  4  o 16 18.9936      1.0213      989.388   -134.454     1278.69   -134.454     240.68    -134.454     
1 1 1 -40 2  5  f 0  20.2995      1.0422      866.132   162.437      1359.21   162.437      331.5     162.437      
1 1 1 -40 2  6  o 12 78.8826      2.31375     2043.34   2.69062      3137.24   2.69062      749.38    2.69062      
1 1 1 -40 2  7  o 6  9.95649      0.732319    567.103   87.864       472.106   87.864       8.83847   87.864       
1 1 1 -40 2  8  o 5  4.65567      0.460555    547.49    -13.5446     154.808   166.455      297.489   166.455      
1 1 1 -40 2  9  o 18 9.23247      0.586184    333.639   -17.3862     360.821   -17.3862     44.9702   -17.3862     
1 1 1 -40 2  10 o 1  9.03137      0.625313    1738.94   147.217      306       -32.7833     871.718   -32.7833     
1 1 1 -40 2  11 o 11 32.6419      1.3683      882.561   46.8136      1983.16   46.8136      617.383   46.8136      
1 1 1 -40 2  12 o 17 79.1919      2.5855      1599.12   39.9938      3337.55   39.9938      970.906   39.9938      
1 1 1 -40 2  13 o 18 57.6572      2.1445      1469.81   -124.107     2701.14   -124.107     693.008   -124.107     
1 1 1 -40 2  14 o 17 0.55649      0.288169    226.979   103.954      204.188   -76.046      205.013   -76.046      
1 1 1 -40 2  15 o 3  29.7548      1.28339     1174.2    139.322      1733.56   139.322      334.173   139.322      
1 1 1 -40 2  16 o 14 12.9405      0.948508    567.273   123.692      1019.6    123.692      253.755   123.692      
1 1 1 -40 2  17 o 6  8.86634      0.732853    586.926   41.9781      789.882   41.9781      129.399   41.9781      
1 1 1 -40 2  18 f 0  2.51431      0.442254    468.914   -44.5583     72.2162   -44.5583     178.468   135.442      
1 1 1 -40 2  19 o 9  2.79342      0.453142    217.39    -118.38      ?         ?            ?         ?            
1 1 1 -40 2  20 o 7  3.633        0.573446    41.9983   -120.852     ?         ?            ?         ?            
1 1 1 -40 2  21 o 3  0.601884     0.346609    327.34    -119.542     ?         ?            ?         ?            
1 1 1 -40 2  22 o 12 0.643137     0.373613    263.913   25.5864      ?         ?            ?         ?            
1 1 1 -40 2  23 o 11 0.778375     0.353286    199.474   -37.855      ?         ?            ?         ?            
1 1 1 -40 4  1  o 2  48.0506      1.65056     2152.23   24.5724      1654.23   24.5724      35.281    -155.428     
1 1 1 -40 4  2  o 7  3.69771      0.467487    486.573   3.38341      26.2928   3.38341      181.796   -176.617     
1 1 1 -40 4  3  o 14 39.1199      1.39305     1460.62   -127.365     2082.28   -127.365     455.913   -127.365     
1 1 1 -40 4  4  o 19 6.45634      0.564415    779.738   -6.01116     110.426   -6.01116     257.336   173.989      
1 1 1 -40 4  5  o 4  5.21073      0.487537    682.108   -24.0553     56.3474   -24.0553     245.636   155.945      
1 1 1 -40 4  6  o 18 0.654203     0.276523    160.933   -16.1953     ?         ?            ?         ?            
1 1 1 -40 4  7  o 17 20.1191      0.914583    1234.19   160.198      1023.13   160.198      10.7422   160.198      
1 1 1 -40 4  8  o 13 10.9607      0.759417    1790.98   -8.56929     151.019   -8.56929     660.301   171.431      
1 1 1 -40 4  9  o 6  33.9239      1.66085     1622.04   -175.984     1647.2    -175.984     144.909   -175.984     
1 1 1 -40 4  10 o 6  5.85563      0.514031    577.47    -22.0864     190.726   157.914      342.667   157.914      
1 1 1 -40 4  11 o 4  7.30316      0.749296    1105.2    -105.497     50.1845   74.5026      510.298   74.5026      
1 1 1 -40 4  12 o 14 59.3165      2.04994     2148.66   -34.6466     2065      -34.6466     69.2763   -34.6466     
1 1 1 -40 4  13 o 19 28.1659      1.14654     1491.72   -45.1873     1409.43   -45.1873     28.2735   -45.1873     
1 1 1 -40 4  14 o 5  22.781       1.1707      1150.47   -36.9216     1402.8    -36.9216     179.414   -36.9216     
1 1 1 -40 4  15 o 10 1.90868      0.366688    559.366   49.1803      229.664   -130.82      367.433   -130.82      
1 1 1 -40 4  16 o 12 2.23088      0.419498    554.877   -175.585     219.726   4.41462      360.55    4.41462      
1 1 1 -40 4  17 f 0  1.82991      0.536447    445.349   -3.33708     107.753   176.663      257.097   176.663      
1 1 1 -40 4  18 o 9  2.08025      0.4072      624.145   -87.4252     109.889   92.5748      341.08    92.5748      
1 1 1 -40 4  19 o 17 1.76078      0.478249    226.286   -143.082     ?         ?            ?         ?            
1 1 1 -40 4  20 f 0  9.66171      0.706874    622.934   -4.50786     ?         ?            ?         ?            
1 1 1 -40 4  21 o 1  1.9684       0.489538    278.647   -140.672     ?         ?            ?         ?            
1 1 1 -40 4  22 o 17 2.20492      0.418123    306.26    108.502      ?         ?            ?         ?            
1 1 1 -40 6  1  o 9  1.17107      0.419527    359.96    84.8649      ?         ?            ?         ?            
1 1 1 -40 6  2  o 2  25.1507      1.26294     2540.51   -36.7221     559.9     -36.7221     769.828   143.278      
1 1 1 -40 6  3  o 4  34.318       1.53587     1128.33   -148.3       1973.09   -148.3       519.861   -148.3       
1 1 1 -40 6  4  o 6  3.65374      0.843615    794.682   -136.787     ?         ?            ?         ?            
1 1 1 -40 6  5  o 13 11.9088      0.898246    862.922   39.0735      527.944   39.0735      96.8514   -140.926     
1 1 1 -40 6  6  o 2  19.521       0.948374    1028.55   -124.766     1186.09   -124.766     158.443   -124.766     
1 1 1 -40 6  7  f 0  18.7485      0.888934    706.213   59.8848      354.213   59.8848      125.448   -120.115     
1 1 1 -40 6  8  o 10 45.2248      1.8772      1615.48   -70.9138     2085.18   -70.9138     339.09    -70.9138     
1 1 1 -40 6  9  o 10 32.9345      1.53278     1568.55   141.285      1335.9    141.285      26.7612   -38.7154     
1 1 1 -40 6  10 o 7  63.604       2.25151     1768.56   149.713      2573.92   149.713      492.246   149.713      
1 1 1 -40 6  11 o 14 13.1499      0.78898     1327.79   -23.8768     413.945   -23.8768     394.947   156.123      
1 1 1 -40 6  12 o 8  7.46183      0.603157    668.867   -6.69313     489.392   -6.69313     58.9747   173.307      
1 1 1 -40 6  13 o 14 2.07079      0.390084    332.506   -176.81      86.521    3.19007      193.664   3.19007      
1 1 1 -40 6  14 o 3  10.1179      0.715512    378.892   95.4735      734.987   95.4735      196.564   95.4735      
1 1 1 -40 6  15 o 5  18.0562      1.19901     1225.23   86.0114      1079.91   86.0114      15.4101   -93.9886     
1 1 1 -40 6  16 o 6  3.75969      0.459188    654.511   142.085      254.266   142.085      172.546   -37.9146     
1 1 1 -40 6  17 o 7  1.33565      0.45088     355.7     -144.676     32.7465   35.3242      178.959   35.3242      
1 1 1 -40 6  18 o 4  2.43359      0.432182    630.199   -123.82      ?         ?            ?         ?            
1 1 1 -40 6  19 o 5  5.97176      0.553042    554.492   106.479      ?         ?            ?         ?            
1 1 1 -40 6  20 o 11 1.34677      0.376284    527.98    84.4817      ?         ?            ?         ?            
1 1 1 -40 6  21 o 1  1.01518      0.563971    235.922   -4.78214     ?         ?            ?         ?            
1 1 1 -40 8  1  o 6  34.29        1.44485     1850.2    36.1287      1380.69   36.1287      136.384   -143.871     
1 1 1 -40 8  2  o 7  2.54661      0.515299    665.914   81.986       332.193   -98.014      463.261   -98.014      
1 1 1 -40 8  3  o 10 13.5188      0.861425    1231.33   -79.3969     606.804   -79.3969     246.446   100.603      
1 1 1 -40 8  4  o 3  41.7714      1.57669     1594.09   156.097      1880.73   156.097      226.731   156.097      
1 1 1 -40 8  5  o 2  4.66537      0.644589    443.01    110.595      30.5699   -69.4051     214.385   -69.4051     
1 1 1 -40 8  6  o 18 12.6071      0.817829    394.954   -11.2113     766.512   -11.2113     204.962   -11.2113     
1 1 1 -40 8  7  o 4  19.4104      1.06739     864.033   -127.626     1183.76   -127.626     200.329   -127.626     
1 1 1 -40 8  8  o 17 1.83141      0.417885    913.431   118.931      694.246   -61.0688     761.898   -61.0688     
1 1 1 -40 8  9  o 16 13.6304      1.04171     645.437   -146.273     1023.86   -146.273     219.018   -146.273     
1 1 1 -40 8  10 o 2  17.538       1.22711     812.365   -176.517     1286.87   -176.517     275.788   -176.517     
1 1 1 -40 8  11 o 4  18.5168      1.36899     1320.5    -7.98261     908.293   -7.98261     141.79    172.017      
1 1 1 -40 8  12 o 13 13.1514      1.30424     997.142   79.8198      929.25    79.8198      14.3706   79.8198      
1 1 1 -40 8  13 o 6  1.60536      0.72492     510.387   -82.9931     104.467   97.0069      284.116   97.0069      
1 1 1 -40 8  14 o 17 3.5369       0.541208    608.974   42.5565      264.936   42.5565      146.533   -137.443     
1 1 1 -40 8  15 o 5  7.32237      0.58864     568.135   -92.0425     805.328   -92.0425     142.744   -92.0425     
1 1 1 -40 8  16 o 16 4.18877      0.522332    451.962   -138.558     524.867   -138.558     61.18     -138.558     
1 1 1 -40 8  17 o 14 1.24119      0.382689    177.668   -165.631     ?         ?            ?         ?            
1 1 1 -40 8  18 o 7  1.39262      0.409055    324.184   -71.4142     ?         ?            ?         ?            
1 1 1 -40 8  19 o 2  5.34096      0.511862    544.369   146.024      ?         ?            ?         ?            
1 1 1 -40 8  20 o 16 1.3701       0.47192     488.938   83.3407      ?         ?            ?         ?            
1 1 1 -40 10 1  o 11 11.8968      0.722973    599.681   74.7035      985.376   74.7035      221.762   74.7035      
1 1 1 -40 10 2  o 2  8.86259      0.755005    520.602   -61.5198     580.497   -61.5198     54.9937   -61.5198     
1 1 1 -40 10 3  o 19 15.7371      0.905299    1067.16   145.921      1040.46   145.921      38.0459   145.921      
1 1 1 -40 10 4  o 15 13.8253      0.837794    796.101   47.9213      994.943   47.9213      137.925   47.9213      
1 1 1 -40 10 5  o 6  1.3992       0.401165    455.926   -32.7097     ?         ?            ?         ?            
1 1 1 -40 10 6  o 1  14.667       0.886866    729.904   -114.412     1006.7    -114.412     174.063   -114.412     
1 1 1 -40 10 7  o 2  5.79273      0.534802    539.03    123.079      456.113   123.079      15.1946   -56.9214     
1 1 1 -40 10 8  o 13 7.11539      0.648464    541.971   12.1238      651.937   12.1238      80.9252   12.1238      
1 1 1 -40 10 9  o 17 1.06951      0.727672    253.902   -37.2428     138.199   142.757      184.372   142.757      
1 1 1 -40 10 10 o 8  8.91639      0.968252    968.428   -149.245     637.412   -149.245     123.543   30.7547      
1 1 1 -40 10 11 o 14 0.613008     0.38228     265.443   177.153      145.668   -2.84747     194.607   -2.84747     
1 1 1 -40 10 12 o 8  3.80165      0.506918    264.786   23.0008      413.231   23.0008      85.5262   23.0008      
1 1 1 -40 10 13 o 18 4.73617      0.535096    403.076   -27.5674     606.018   -27.5674     122.176   -27.5674     
1 1 1 -40 10 14 o 15 4.48677      0.579376    661.02    49.0886      475.957   49.0886      47.2341   -130.911     
1 1 1 -40 10 15 f 0  0.481209     0.363322    131.568   24.663       ?         ?            ?         ?            
1 1 1 -40 10 16 o 19 3.40454      0.555913    407.922   120.994      ?         ?            ?         ?            
1 1 1 -40 10 17 o 10 1.49421      0.644912    464.595   160.313      ?         ?            ?         ?            
1 1 1 -40 10 18 o 5  0.846958     0.457741    86.5935   110.324      ?         ?            ?         ?            
1 1 1 -40 12 1  o 5  2.36461      0.609735    880.384   99.1531      132.952   -80.8469     470.4     -80.8469     
1 1 1 -40 12 2  o 8  4.76378      0.60737     526.353   112.371      495.996   112.371      6.48118   112.371      
1 1 1 -40 12 3  o 7  3.03286      0.507072    247.142   -152.122     254.548   -152.122     13.8779   -152.122     
1 1 1 -40 12 4  f 0  1.4167       0.458783    515.882   86.0487      82.116    -93.9513     277.686   -93.9513     
1 1 1 -40 12 5  o 16 2.39564      0.535796    65.4593   132.243      38.878    132.243      10.5522   -47.7567     
1 1 1 -40 12 6  o 17 0.75398      0.404882    489.912   104.122      390.523   -75.8777     419.044   -75.8777     
1 1 1 -40 12 7  o 6  5.58179      0.704658    554.446   -49.9158     605.466   -49.9158     51.1478   -49.9158     
1 1 1 -40 12 8  o 2  5.45137      0.656974    266.787   -27.5281     694.97    -27.5281     227.927   -27.5281     
1 1 1 -40 12 9  o 16 0.794859     0.444467    434.863   -121.798     119.228   58.2021      250.566   58.2021      
1 1 1 -40 12 10 o 17 1.14362      0.4542      124.036   -118.436     33.4887   -118.436     36.1862   61.5638      
1 1 1 -40 12 11 f 0  3.3035       0.523922    266.695   -30.7459     493.171   -30.7459     136.492   -30.7459     
1 1 1 -40 12 12 o 6  1.73144      0.465431    122.478   -134.835     ?         ?            ?         ?            
1 1 1 -40 12 13 o 8  4.32974      0.533773    413.37    -108.686     ?         ?            ?         ?            
1 1 1 -40 12 14 o 4  0.741878     0.37728     134.046   6.1245       ?         ?            ?         ?            
1 1 1 -40 12 15 o 6  -0.326104    0.375678    122.318   -174.424     ?         ?            ?         ?            
1 1 1 -40 14 1  o 6  1.51782      0.452391    274.538   -74.9552     194.077   -74.9552     12.4713   105.045      
1 1 1 -40 14 2  o 13 1.09227      0.508415    299.01    151.663      79.95     151.663      79.4745   -28.3371     
1 1 1 -40 14 3  o 18 0.929287     0.470047    71.9016   162.63       25.5897   -17.3699     41.4965   -17.3699     
1 1 1 -40 14 4  o 4  1.56657      0.455091    270.396   36.4455      216.112   36.4455      0.428155  36.4455      
1 1 1 -40 14 5  o 8  -0.231904    0.370245    351.221   118.157      197.356   -61.8435     237.86    -61.8435     
1 1 1 -40 14 6  o 12 0.563682     0.468629    167.824   155.914      28.1297   -24.0858     80.2219   -24.0858     
1 1 1 -40 14 7  o 16 1.43709      0.465813    206.82    -149.682     ?         ?            ?         ?            
1 1 1 -40 14 8  o 14 0.189646     0.370779    158.444   142.492      ?         ?            ?         ?            
1 1 1 -40 14 9  o 6  0.194142     0.45223     229.374   -82.6976     ?         ?            ?         ?            
1 1 1 -40 14 10 o 1  1.141        0.44727     304.538   172.663      ?         ?            ?         ?            
1 1 1 -40 14 11 o 13 0.402572     0.387558    149.645   142.583      ?         ?            ?         ?            
1 1 1 -39 1  1  o 11 34.4714      1.14886     1112.11   11.7411      1956.14   11.7411      524.463   11.7411      
1 1 1 -39 1  2  o 16 18.4433      0.84692     990.989   -121.318     1260.8    -121.318     225.736   -121.318     
1 1 1 -39 1  3  o 16 11.5417      0.684069    1059.8    -178.54      737.026   -178.54      63.9321   1.45987      
1 1 1 -39 1  4  o 17 23.8379      1.19522     1199.2    86.0047      1323.75   86.0047      173.787   86.0047      
1 1 1 -39 1  5  o 19 6.89018      0.512846    675.183   23.2387      346.462   23.2387      100.451   -156.761     
1 1 1 -39 1  6  o 9  10.9283      0.669346    1459.3    -151.883     345.506   -151.883     415.798   28.1172      
1 1 1 -39 1  7  o 16 17.2581      1.06433     1453.98   -89.1243     729.873   -89.1243     218.748   90.8757      
1 1 1 -39 1  8  o 2  18.2657      0.828926    930.91    -53.096      1139.24   -53.096      196.68    -53.096      
1 1 1 -39 1  9  o 14 30.7859      1.22762     690.674   -100.737     2043.3    -100.737     743.97    -100.737     
1 1 1 -39 1  10 o 10 0.251302     0.213249    472.891   56.3101      ?         ?            ?         ?            
1 1 1 -39 1  11 o 8  41.9189      1.75941     1348.07   143.211      2035.07   143.211      456.757   143.211      
1 1 1 -39 1  12 o 10 31.7893      1.25947     1178.62   -22.2776     1522.86   -22.2776     256.458   -22.2776     
1 1 1 -39 1  13 o 7  7.18132      0.697428    1060.78   -21.0566     147.904   -21.0566     394.422   158.943      
1 1 1 -39 1  14 o 10 12.9289      0.682216    309.954   -27.4501     679.904   -27.4501     200.135   -27.4501     
1 1 1 -39 1  15 o 7  10.9148      0.861788    752.637   8.01909      683.422   8.01909      0.084975  -171.981     
1 1 1 -39 1  16 o 18 1.9923       0.436357    292.735   177.91       111.925   -2.08974     188.347   -2.08974     
1 1 1 -39 1  17 o 13 18.7255      0.900034    553.392   11.4922      1563.94   11.4922      532.197   11.4922      
1 1 1 -39 1  18 o 2  3.36759      0.418918    467.88    4.71041      166.85    4.71041      129.757   -175.29      
1 1 1 -39 1  19 o 15 7.8957       0.601351    289.583   -112.31      859.902   -112.31      297.145   -112.31      
1 1 1 -39 1  20 o 7  11.7129      0.814129    697.474   -148.83      ?         ?            ?         ?            
1 1 1 -39 1  21 o 16 1.07301      0.417666    441.157   150.332      ?         ?            ?         ?            
1 1 1 -39 1  22 o 1  0.496663     0.318051    214.871   155.386      ?         ?            ?         ?            
1 1 1 -39 1  23 o 17 3.35183      0.567087    306.124   -84.0249     ?         ?            ?         ?            
1 1 1 -39 3  1  f 0  21.1925      0.803395    1924.41   -110.618     689.095   -110.618     430.887   69.3824      
1 1 1 -39 3  2  o 19 11.9604      0.709619    1035.44   -173.692     654.107   -173.692     90.4982   6.30759      
1 1 1 -39 3  3  o 8  24.0049      1.2656      809.317   171.241      1507.34   171.241      427.468   171.241      
1 1 1 -39 3  4  o 12 11.3922      0.70612     853.453   -15.1972     146.471   -15.1972     270.19    164.803      
1 1 1 -39 3  5  o 5  24.142       1.0769      1215.19   -112.631     1259.64   -112.631     141.946   -112.631     
1 1 1 -39 3  6  o 2  19.3236      1.1138      1743.61   -63.3318     453.681   -63.3318     471.876   116.668      
1 1 1 -39 3  7  o 5  9.09757      0.662363    336.655   -31.2375     403.761   -31.2375     66.9443   -31.2375     
1 1 1 -39 3  8  o 15 23.9876      1.20799     1192.16   56.5785      930.243   56.5785      14.8853   -123.421     
1 1 1 -39 3  9  o 17 8.68761      0.796085    340.999   -9.75601     ?         ?            ?         ?            
1 1 1 -39 3  10 o 13 6.34873      0.615885    1127.87   -75.8483     26.9496   104.152      481.632   104.152      
1 1 1 -39 3  11 o 19 16.6798      0.923941    767.741   -145.823     1098.71   -145.823     222.238   -145.823     
1 1 1 -39 3  12 o 18 34.5956      1.53432     1712.01   172.969      1373.47   172.969      63.7539   -7.03116     
1 1 1 -39 3  13 o 2  9.22826      0.802227    491.173   -84.8351     379.605   -84.8351     30.5739   95.1649      
1 1 1 -39 3  14 o 7  9.71139      0.814912    441.459   47.9913      619.637   47.9913      109.493   47.9913      
1 1 1 -39 3  15 o 11 15.244       1.14077     796.557   -31.5815     1143.31   -31.5815     210.573   -31.5815     
1 1 1 -39 3  16 o 13 4.58796      0.530282    312.102   -163.788     209.281   -163.788     36.1834   16.2115      
1 1 1 -39 3  17 f 0  5.12623      0.601605    81.6203   -45.5508     129.042   -45.5508     27.5516   -45.5508     
1 1 1 -39 3  18 o 18 2.59481      0.485821    306.866   -178.882     122.327   -178.882     79.4187   1.11755      
1 1 1 -39 3  19 o 7  4.37834      0.617803    412.257   100.196      ?         ?            ?         ?            
1 1 1 -39 3  20 o 13 6.06881      0.541111    592.514   -127.376     ?         ?            ?         ?            
1 1 1 -39 3  21 o 9  0.175854     0.304603    291.772   119.618      ?         ?            ?         ?            
1 1 1 -39 3  22 o 15 2.14584      0.408952    239.629   -91.3213     ?         ?            ?         ?            
1 1 1 -39 3  23 o 14 2.45344      0.430931    228.925   -33.4843     ?         ?            ?         ?            
1 1 1 -39 5  1  o 10 9.9677       0.592428    268.441   -59.3686     352.193   -59.3686     68.1913   -59.3686     
1 1 1 -39 5  2  o 12 3.58234      0.444751    610.934   -52.7489     23.2445   127.251      257.05    127.251      
1 1 1 -39 5  3  o 11 2.68698      0.43081     466.037   36.3649      226.098   -143.635     300.339   -143.635     
1 1 1 -39 5  4  o 10 30.6698      1.08154     1519.18   -168.546     1659.71   -168.546     218.371   -168.546     
1 1 1 -39 5  5  o 12 22.6902      1.01403     1696.3    -63.3781     1088.93   -63.3781     140.635   116.622      
1 1 1 -39 5  6  f 0  2.15135      0.428416    1126.05   58.9626      701.593   -121.037     808.443   -121.037     
1 1 1 -39 5  7  o 14 8.18962      0.798801    326.969   -26.638      241.778   -26.638      13.3788   153.362      
1 1 1 -39 5  8  o 2  13.3787      1.21573     826.023   144.257      869.737   144.257      90.4414   144.257      
1 1 1 -39 5  9  f 0  66.0268      2.77494     2162.62   -111.98      2485.22   -111.98      322.568   -111.98      
1 1 1 -39 5  10 o 3  24.93        1.32859     1180.78   175.895      1413.78   175.895      192.908   175.895      
1 1 1 -39 5  11 o 5  18.5202      1.17909     1638.29   -172.1       711.154   -172.1       373.186   7.89974      
1 1 1 -39 5  12 o 16 18.6921      1.04402     1668.95   -156.731     623.564   -156.731     442.074   23.2692      
1 1 1 -39 5  13 o 3  9.4604       1.39996     856.094   -68.4953     262.39    -68.4953     257.584   111.505      
1 1 1 -39 5  14 f 0  2.54624      0.383662    131.429   7.51542      49.5092   -172.485     84.261    -172.485     
1 1 1 -39 5  15 o 11 18.6071      0.987706    1098.71   56.1479      1240.53   56.1479      124.605   56.1479      
1 1 1 -39 5  16 o 14 6.2557       0.669079    309.687   -4.85058     540.385   -4.85058     129.834   -4.85058     
1 1 1 -39 5  17 o 2  2.36516      0.435811    257.238   -33.5401     100.668   -33.5401     67.5066   146.46       
1 1 1 -39 5  18 o 2  21.0694      0.948301    808.504   80.7875      1694.99   80.7875      478.832   80.7875      
1 1 1 -39 5  19 o 5  5.49992      0.858873    508.374   -111.978     ?         ?            ?         ?            
1 1 1 -39 5  20 o 10 0.823594     0.421506    159.584   44.2682      ?         ?            ?         ?            
1 1 1 -39 5  21 o 10 10.573       0.81667     664.11    21.4644      ?         ?            ?         ?            
1 1 1 -39 5  22 o 3  1.4623       0.37463     177.503   132.992      ?         ?            ?         ?            
1 1 1 -39 7  1  o 9  5.46104      0.52037     791.538   -62.2221     160.733   117.778      416.936   117.778      
1 1 1 -39 7  2  o 2  17.7509      0.823589    1187.92   74.6085      1016.93   74.6085      4.33659   74.6085      
1 1 1 -39 7  3  o 19 13.5887      0.831907    596.34    106.368      736.277   106.368      114.749   106.368      
1 1 1 -39 7  4  o 8  21.0408      1.26669     1868.33   54.9693      748.397   54.9693      423.199   -125.031     
1 1 1 -39 7  5  o 18 28.8972      1.37536     1010.22   -126.115     1729.78   -126.115     430.462   -126.115     
1 1 1 -39 7  6  o 1  5.50278      0.620663    130.795   45.5682      46.3352   45.5682      33.6643   -134.432     
1 1 1 -39 7  7  o 3  76.1022      2.59441     1410.09   90.6074      3341.24   90.6075      1050.3    90.6075      
1 1 1 -39 7  8  o 12 14.7192      1.15301     1160.16   -96.3579     767.351   -96.3579     133.263   83.6421      
1 1 1 -39 7  9  o 12 1.60332      0.477208    725.259   -134.942     431.735   45.0584      542.589   45.0584      
1 1 1 -39 7  10 o 9  11.6549      0.789701    546.752   -24.7481     798.12    -24.7481     151.095   -24.7481     
1 1 1 -39 7  11 o 1  11.1727      0.847856    1289.37   -127.401     441.694   -127.401     364.55    52.5988      
1 1 1 -39 7  12 o 15 2.78054      0.474663    655.481   -16.9258     72.8665   163.074      333.065   163.074      
1 1 1 -39 7  13 o 2  49.2406      1.94971     1892.75   50.8055      2103.89   50.8055      198.021   50.8055      
1 1 1 -39 7  14 o 17 5.68477      0.669207    505.413   -66.2041     442.152   -66.2041     7.58104   113.796      
1 1 1 -39 7  15 f 0  16.6882      1.05609     797.066   -130.638     1370.9    -130.638     321.488   -130.638     
1 1 1 -39 7  16 o 5  8.8086       0.692862    527.119   104.64       936.056   104.64       226.262   104.64       
1 1 1 -39 7  17 o 6  0.580532     0.315853    274.15    -135.696     231.18    44.3042      238.697   44.3042      
1 1 1 -39 7  18 o 12 0.835977     0.330645    128.571   -39.8322     ?         ?            ?         ?            
1 1 1 -39 7  19 o 19 3.77676      0.487199    395.618   -111.712     ?         ?            ?         ?            
1 1 1 -39 7  20 o 14 0.690842     0.343588    111.431   -134.05      ?         ?            ?         ?            
1 1 1 -39 7  21 o 18 0.105366     0.363468    175.281   60.1625      ?         ?            ?         ?            
1 1 1 -39 9  1  o 10 6.41317      0.698592    422.366   -39.5467     119.55    -39.5467     131.787   140.453      
1 1 1 -39 9  2  o 16 1.71879      0.411311    737.697   86.3777      394.52    -93.6223     531.732   -93.6223     
1 1 1 -39 9  3  o 11 14.1049      0.838144    1567.91   70.8519      432.393   70.8519      494.844   -109.148     
1 1 1 -39 9  4  o 6  14.2001      0.821313    662.309   112.498      1014.52   112.498      206.722   112.498      
1 1 1 -39 9  5  o 11 20.6525      1.20333     1642.3    88.3785      845.3     88.3785      323.056   -91.6215     
1 1 1 -39 9  6  o 7  1.69341      0.408129    254.447   -44.4682     109.075   135.532      170.083   135.532      
1 1 1 -39 9  7  o 5  4.67136      0.610618    223.888   5.71304      129.549   5.71304      36.7963   -174.287     
1 1 1 -39 9  8  o 2  1.00629      0.389113    967.469   172.06       ?         ?            ?         ?            
1 1 1 -39 9  9  o 18 1.37117      0.466788    718.226   175.345      ?         ?            ?         ?            
1 1 1 -39 9  10 o 15 11.8279      0.82264     229.481   170.992      821.847   170.992      307.396   170.992      
1 1 1 -39 9  11 o 11 10.5407      1.11762     576.731   62.8101      982.727   62.8101      230.523   62.8101      
1 1 1 -39 9  12 o 1  1.62627      0.535135    145.413   30.515       22.7278   -149.485     77.574    -149.485     
1 1 1 -39 9  13 o 19 2.91273      0.488738    327.495   161.88       218.883   161.88       40.7227   -18.1202     
1 1 1 -39 9  14 o 12 14.916       0.87385     703.368   133.272      1359.96   133.272      358.461   133.272      
1 1 1 -39 9  15 o 19 7.68497      0.756847    531.827   39.7966      888.478   39.7966      207.346   39.7966      
1 1 1 -39 9  16 o 18 13.5404      1.0104      691.628   -11.67       ?         ?            ?         ?            
1 1 1 -39 9  17 o 1  0.404688     0.38323     478.111   -70.5536     ?         ?            ?         ?            
1 1 1 -39 9  18 o 7  0.998499     0.394934    432.741   37.6769      ?         ?            ?         ?            
1 1 1 -39 9  19 o 8  0.946733     0.483026    350.386   49.5135      ?         ?            ?         ?            
1 1 1 -39 11 1  o 13 2.285        0.402106    410.734   -32.3986     77.0041   147.601      224.204   147.601      
1 1 1 -39 11 2  o 11 17.6331      1.00798     1530.52   70.5846      836.166   70.5846      273.693   -109.415     
1 1 1 -39 11 3  o 1  2.99126      0.605133    196.854   74.1575      26.0703   -105.843     102.027   -105.843     
1 1 1 -39 11 4  o 9  1.47174      0.394909    166.615   14.0616      65.2806   -165.938     108.018   -165.938     
1 1 1 -39 11 5  o 9  3.03983      0.483355    336.023   85.6389      19.4032   85.6389      142.543   -94.3611     
1 1 1 -39 11 6  o 3  8.92486      0.72897     336.548   32.2532      855.333   32.2532      274.806   32.2532      
1 1 1 -39 11 7  o 18 0.188458     0.373037    260.728   76.0872      229.216   -103.913     233.45    -103.913     
1 1 1 -39 11 8  o 10 3.50321      0.573218    541.861   -14.4336     267.626   -14.4336     114.164   165.566      
1 1 1 -39 11 9  o 2  4.15746      0.794055    497.752   13.0886      381.818   13.0886      37.4802   -166.911     
1 1 1 -39 11 10 o 13 1.20034      0.38026     194.741   137.714      14.2819   -42.2859     96.2712   -42.2859     
1 1 1 -39 11 11 o 12 2.26194      0.66316     474.872   -141.308     170.244   -141.308     129.419   38.6922      
1 1 1 -39 11 12 o 15 4.70423      0.514256    294.685   -33.4481     648.535   -33.4481     194.786   -33.4481     
1 1 1 -39 11 13 o 7  3.55746      0.473396    144.84    79.0319      383.822   79.0319      130.824   79.0319      
1 1 1 -39 11 14 o 19 1.59039      0.426619    213.565   38.1711      ?         ?            ?         ?            
1 1 1 -39 11 15 o 13 2.66699      0.422177    439.967   -40.8164     ?         ?            ?         ?            
1 1 1 -39 11 16 o 7  0.346011     0.510384    149.951   -164.79      ?         ?            ?         ?            
1 1 1 -39 11 17 o 8  -0.0321775   0.348512    458.524   115.266      ?         ?            ?         ?            
1 1 1 -39 13 1  f 0  2.46918      0.60488     177.76    -144.562     200.688   -144.562     21.5938   -144.562     
1 1 1 -39 13 2  o 6  5.28054      0.596317    460.223   86.4171      602.224   86.4171      96.8199   86.4171      
1 1 1 -39 13 3  o 17 2.79249      0.503996    259.014   18.7718      324.729   18.7718      47.5341   18.7718      
1 1 1 -39 13 4  o 14 2.07397      0.43903     182.619   -168.277     173.635   -168.277     6.23381   -168.277     
1 1 1 -39 13 5  o 4  0.0838282    0.348082    428.949   -45.2488     329.097   134.751      352.215   134.751      
1 1 1 -39 13 6  o 19 0.0942494    0.454553    182.733   39.0652      138.409   -140.935     148.115   -140.935     
1 1 1 -39 13 7  o 13 0.643061     0.465598    260.009   163.302      58.2515   -16.6984     139.429   -16.6984     
1 1 1 -39 13 8  o 10 0.935897     0.378406    266.307   -15.8897     22.8075   -15.8897     99.1592   164.11       
1 1 1 -39 13 9  o 7  0.765294     0.435669    73.0948   126.299      3.4457    -53.701      31.3906   -53.701      
1 1 1 -39 13 10 o 3  0.487785     0.382246    188.061   -161.601     ?         ?            ?         ?            
1 1 1 -39 13 11 o 8  0.789832     0.385312    330.211   173.884      ?         ?            ?         ?            
1 1 1 -39 13 12 f 0  -0.0829495   0.341854    149.364   174.534      ?         ?            ?         ?            
1 1 1 -39 13 13 o 8  1.0133       0.436285    216.485   -85.7047     ?         ?            ?         ?            
1 1 1 -39 15 1  o 8  0.647186     0.428211    127.727   7.70388      13.0827   7.70388      42.2964   -172.296     
1 1 1 -39 15 2  o 17 -0.209092    0.450298    143.202   149.785      69.0479   -30.215      89.3706   -30.215      
1 1 1 -39 15 3  o 19 0.452671     0.412302    175.134   177.684      25.5043   -2.31581     79.7577   -2.31581     
1 1 1 -39 15 4  o 4  0.951044     0.518597    299.631   -98.7162     ?         ?            ?         ?            
1 1 1 -39 15 5  o 18 -0.146719    0.33688     256.307   68.4159      ?         ?            ?         ?            
1 1 1 -39 15 6  o 3  0.989824     0.386209    305.864   45.2262      ?         ?            ?         ?            
1 1 1 -39 15 7  o 1  1.46927      0.520224    438.984   36.8082      ?         ?            ?         ?            
1 1 1 -38 0  1  o 18 49.364       2.36823     2372.39   180          1841.55   180          55.5056   2.39815e-13  
1 1 1 -38 0  2  o 16 9.29652      0.74261     1364.42   0            510.862   0            306.66    180          
1 1 1 -38 0  3  o 2  4.11095      0.609146    1119.36   0            278.521   180          599.998   180          
1 1 1 -38 0  4  o 9  75.9111      3.23549     2289.46   180          2872.99   180          496.774   180          
1 1 1 -38 0  5  o 4  1.69397      0.581589    227.707   180          128.786   3.12017e-15  157.421   1.27631e-15  
1 1 1 -38 0  6  o 8  4.31432      0.58616     415.974   0            115.665   0            111.057   180          
1 1 1 -38 0  7  o 12 15.5546      1.09173     876.086   180          1275.15   180          284.275   180          
1 1 1 -38 0  8  o 16 4.22828      0.528493    16.5782   0            6.22888   180          9.76435   180          
1 1 1 -38 0  9  o 13 14.4801      1.21423     46.3052   0            16.0378   180          26.5781   180          
1 1 1 -38 0  10 o 1  14.0871      1.03508     398.584   0            915.553   0            296.839   0            
1 1 1 -38 0  11 o 19 42.8907      2.53753     1786.62   0            1952.49   0            241.605   0            
1 1 1 -38 0  12 o 6  25.3574      1.23537     1647.18   180          1394.7    180          0.677789  180          
1 1 1 -38 0  13 o 10 103.185      4.5738      2338.37   180          3608.1    180          782.577   180          
1 1 1 -38 0  14 o 13 24.7951      1.69363     1398.47   180          1471.04   180          108.272   180          
1 1 1 -38 0  15 o 10 8.41586      1.5002      430.529   0            431.098   0            20.1275   0            
1 1 1 -38 0  16 o 1  7.48289      0.828202    545.648   0            543.999   0            24.8461   0            
1 1 1 -38 0  17 o 13 118.5        5.1977      2390.34   180          3890.3    180          866.802   180          
1 1 1 -38 0  18 o 14 10.0442      0.937406    1296.41   0            526.092   0            325.875   180          
1 1 1 -38 0  19 o 17 14.6451      1.28433     371.18    0            1683.8    0            671.582   0            
1 1 1 -38 0  20 o 6  9.38951      1.02023     334.236   0            ?         ?            ?         ?            
1 1 1 -38 0  21 o 3  4.96586      0.722926    254.625   180          ?         ?            ?         ?            
1 1 1 -38 0  22 o 1  8.77152      1.95322     296.97    180          ?         ?            ?         ?            
1 1 1 -38 0  23 o 15 0.723652     0.506994    68.4663   0            ?         ?            ?         ?            
1 1 1 -38 2  1  o 11 26.8604      1.00247     1457.71   175.363      1508.5    175.363      158.777   175.363      
1 1 1 -38 2  2  o 3  20.7497      0.911814    1214.12   -43.8593     1314.69   -43.8593     160.854   -43.8593     
1 1 1 -38 2  3  o 12 11.1087      0.799835    1004      -20.3915     696.43    -20.3915     62.0049   159.609      
1 1 1 -38 2  4  o 15 33.8929      1.65001     1070.87   -144.962     2087.24   -144.962     607.248   -144.962     
1 1 1 -38 2  5  o 9  15.6778      1.10011     1085.36   13.2262      946.43    13.2262      32.8342   13.2262      
1 1 1 -38 2  6  o 7  5.87002      0.433041    591.262   -166.934     371.037   13.0655      424.156   13.0655      
1 1 1 -38 2  7  o 6  37.1586      1.8033      1185.53   131.264      2206.86   131.264      627.323   131.264      
1 1 1 -38 2  8  o 15 2.1047       0.350254    812.727   -94.5324     ?         ?            ?         ?            
1 1 1 -38 2  9  f 0  1.04281      0.34459     786.813   -142.466     ?         ?            ?         ?            
1 1 1 -38 2  10 o 3  23.9748      1.198       1079.18   -70.1598     1516.94   -70.1598     319.617   -70.1598     
1 1 1 -38 2  11 o 3  14.4486      0.810211    1228.08   -93.2555     701.432   -93.2555     159.731   86.7445      
1 1 1 -38 2  12 o 15 31.4691      1.36132     795.885   90.4864      1974.7    90.4864      646.6     90.4864      
1 1 1 -38 2  13 o 18 94.885       3.59418     3372.72   128.044      2220.73   128.044      378.189   -51.9557     
1 1 1 -38 2  14 o 17 3.45953      0.535277    564.833   -113.578     42.1847   66.4216      275.847   66.4216      
1 1 1 -38 2  15 o 18 3.01096      0.422658    1119.79   -68.3393     373.387   111.661      695.225   111.661      
1 1 1 -38 2  16 o 12 56.582       1.99864     1817.77   -0.718773    2426.37   -0.718773    391.131   -0.718773    
1 1 1 -38 2  17 o 4  9.43333      0.771942    866.528   -174.84      720.178   -174.84      31.0241   5.15954      
1 1 1 -38 2  18 o 11 20.0258      0.948894    765.139   49.7448      1619.81   49.7448      461.252   49.7448      
1 1 1 -38 2  19 o 8  26.9863      1.16451     946.29    -81.6635     1906.44   -81.6635     519.27    -81.6635     
1 1 1 -38 2  20 o 7  2.83986      0.477194    106.987   136.509      ?         ?            ?         ?            
1 1 1 -38 2  21 o 14 0.462204     0.361729    259.894   -124.175     ?         ?            ?         ?            
1 1 1 -38 2  22 o 3  1.44593      0.387016    333.134   164.466      ?         ?            ?         ?            
1 1 1 -38 2  23 o 11 1.95663      0.404738    208.346   157.804      ?         ?            ?         ?            
1 1 1 -38 4  1  o 8  33.097       1.39317     1523.62   -101.893     1472.21   -101.893     124.121   -101.893     
1 1 1 -38 4  2  o 2  23.7261      1.01632     1094.48   -118.951     1392.16   -118.951     256.246   -118.951     
1 1 1 -38 4  3  o 13 1.35038      0.306207    475.753   -86.606      ?         ?            ?         ?            
1 1 1 -38 4  4  f 0  29.9612      1.22947     1240.69   169.643      1724.97   169.643      364.659   169.643      
1 1 1 -38 4  5  o 10 28.0388      1.18697     451.516   -7.0536      1757.6    -7.0536      697.855   -7.0536      
1 1 1 -38 4  6  o 12 2.90033      0.409527    233.602   -115.419     ?         ?            ?         ?            
1 1 1 -38 4  7  o 13 4.27576      0.462985    508.794   -11.9901     0.697477  -11.9901     204.042   168.01       
1 1 1 -38 4  8  o 2  18.2668      0.950929    250.521   104.157      407.334   104.157      102.272   104.157      
1 1 1 -38 4  9  o 13 12.241       0.907975    697.449   80.5639      531.075   80.5639      20.8047   -99.4361     
1 1 1 -38 4  10 o 5  9.36875      0.982715    828.257   -78.0101     412.36    -78.0101     141.282   101.99       
1 1 1 -38 4  11 o 6  20.2464      0.904216    673.335   174.67       1113.31   174.67       266.526   174.67       
1 1 1 -38 4  12 o 13 37.3543      1.6149      1913.39   128.528      1452.29   128.528      120.49    -51.472      
1 1 1 -38 4  13 o 11 137.309      4.88898     2588.24   94.317       4070.54   94.317       867.86    94.317       
1 1 1 -38 4  14 o 10 72.8868      2.07083     1933.91   -134.082     2847.29   -134.082     545.402   -134.082     
1 1 1 -38 4  15 o 15 20.3535      0.973202    556.104   -112.085     1528.56   -112.085     512.586   -112.085     
1 1 1 -38 4  16 o 8  19.1678      0.996635    1728.34   23.4785      765.197   23.4785      397.133   -156.521     
1 1 1 -38 4  17 o 13 8.7441       0.71718     619.532   160.895      787.927   160.895      112.56    160.895      
1 1 1 -38 4  18 o 1  0.9602       0.420642    44.6896   169.79       15.0679   -10.2096     28.0372   -10.2096     
1 1 1 -38 4  19 o 15 1.66229      0.457179    400.178   -99.54       ?         ?            ?         ?            
1 1 1 -38 4  20 o 1  14.6774      1.06571     704.691   169.924      ?         ?            ?         ?            
1 1 1 -38 4  21 o 3  0.187062     0.360862    272.88    -138.069     ?         ?            ?         ?            
1 1 1 -38 4  22 o 8  0.793976     0.348232    111.57    -79.0092     ?         ?            ?         ?            
1 1 1 -38 6  1  o 17 42.5853      1.84336     1138.93   -83.0395     2289.73   -83.0395     682.094   -83.0395     
1 1 1 -38 6  2  o 4  7.32064      0.528677    886.266   66.408       318.43    66.408       200.488   -113.592     
1 1 1 -38 6  3  o 8  31.4691      1.23269     1991.95   78.0341      1321.89   78.0341      148.24    -101.966     
1 1 1 -38 6  4  o 6  14.7586      0.902187    1621.09   20.3282      443.331   20.3282      438.912   -159.672     
1 1 1 -38 6  5  o 4  38.1253      1.81927     1558.8    66.9884      1750.33   66.9884      236.251   66.9884      
1 1 1 -38 6  6  o 13 1.28019      0.699145    218.489   -170.157     ?         ?            ?         ?            
1 1 1 -38 6  7  o 19 73.5357      4.4868      2481.08   -31.9619     2487.31   -31.9619     203.481   -31.9619     
1 1 1 -38 6  8  o 1  40.9296      1.49427     1475.23   107.193      2016.18   107.193      378.833   107.193      
1 1 1 -38 6  9  o 2  6.02357      0.595653    994.284   -52.1413     93.8259   127.859      479.559   127.859      
1 1 1 -38 6  10 o 10 29.3906      2.20485     1314.06   -98.4737     1410.87   -98.4737     122.292   -98.4737     
1 1 1 -38 6  11 o 11 1.47799      0.40276     294.058   171.956      ?         ?            ?         ?            
1 1 1 -38 6  12 o 12 26.6324      1.44244     1453.42   -140.884     1233.18   -140.884     43.1551   39.1159      
1 1 1 -38 6  13 o 10 34.3906      1.39102     1193.75   -67.8614     1991.36   -67.8614     454.346   -67.8614     
1 1 1 -38 6  14 o 18 10.1707      0.873413    482.017   -28.1173     821.78    -28.1173     193.264   -28.1173     
1 1 1 -38 6  15 o 16 12.6731      0.935221    868.866   -83.0156     1004.14   -83.0156     109.55    -83.0156     
1 1 1 -38 6  16 o 6  12.1483      0.731392    832.183   -114.823     996.958   -114.823     119.058   -114.823     
1 1 1 -38 6  17 o 19 7.61969      0.682694    506.499   51.4219      827.85    51.4219      181.558   51.4219      
1 1 1 -38 6  18 o 4  5.61242      0.535689    108.823   -62.6219     ?         ?            ?         ?            
1 1 1 -38 6  19 o 13 2.67504      0.427719    281.468   -63.6453     ?         ?            ?         ?            
1 1 1 -38 6  20 o 16 4.36634      0.477837    695       -125.26      ?         ?            ?         ?            
1 1 1 -38 6  21 f 0  4.26685      0.563369    391.785   -166.784     ?         ?            ?         ?            
1 1 1 -38 6  22 o 4  0.652917     0.512744    271.966   -6.18615     ?         ?            ?         ?            
1 1 1 -38 8  1  o 10 18.5287      0.938797    685.285   57.9699      1169.26   57.9699      283.71    57.9699      
1 1 1 -38 8  2  o 9  15.07        0.849247    1115.25   -72.5932     785.9     -72.5932     96.0352   107.407      
1 1 1 -38 8  3  o 2  9.69341      0.716703    510.797   -97.6263     536.577   -97.6263     44.0562   -97.6263     
1 1 1 -38 8  4  o 2  4.45455      0.572739    610.472   73.0287      114.395   -106.971     326.21    -106.971     
1 1 1 -38 8  5  o 17 0.772432     0.366037    602.118   47.4606      ?         ?            ?         ?            
1 1 1 -38 8  6  o 4  17.8413      0.978018    966.907   2.85069      1056.11   2.85069      96.2206   2.85069      
1 1 1 -38 8  7  o 7  21.7344      1.38265     1645.63   -42.5151     727.72    -42.5151     376.663   137.485      
1 1 1 -38 8  8  o 18 7.47458      0.810432    332.002   7.56347      145.279   7.56347      77.6642   -172.437     
1 1 1 -38 8  9  o 8  33.9878      1.39361     1326.84   63.8276      1754.21   63.8276      274.633   63.8276      
1 1 1 -38 8  10 o 12 18.6575      1.02143     1043.22   13.1772      1210.46   13.1772      131.907   13.1772      
1 1 1 -38 8  11 o 11 21.0875      1.01499     1029.66   -121.22      1391.78   -121.22      230.274   -121.22      
1 1 1 -38 8  12 o 13 4.02621      0.54973     629.113   -161.592     250.909   18.4084      409.267   18.4084      
1 1 1 -38 8  13 o 4  6.46348      0.909957    878.168   32.675       422.291   32.675       186.133   -147.325     
1 1 1 -38 8  14 o 10 7.80981      0.723049    463.092   -93.6183     722.815   -93.6183     150.117   -93.6183     
1 1 1 -38 8  15 o 2  7.62681      0.751792    518.949   67.8684      839.176   67.8684      181.466   67.8684      
1 1 1 -38 8  16 f 0  1.13672      0.383295    546.306   49.9933      140.953   -130.007     317.53    -130.007     
1 1 1 -38 8  17 o 11 2.27963      0.424125    111.942   -15.6561     ?         ?            ?         ?            
1 1 1 -38 8  18 o 10 0.942645     0.339105    258.114   172.009      ?         ?            ?         ?            
1 1 1 -38 8  19 o 15 5.74534      0.525652    607.983   -34.3097     ?         ?            ?         ?            
1 1 1 -38 8  20 o 15 1.34645      0.474306    102.362   -40.439      ?         ?            ?         ?            
1 1 1 -38 10 1  o 6  10.0727      0.861266    842.082   139.256      568.327   139.256      97.4207   -40.7441     
1 1 1 -38 10 2  o 7  19.5814      1.08454     1424.95   -76.647      967.518   -76.647      162.091   103.353      
1 1 1 -38 10 3  o 19 12.7144      0.754814    470.691   -94.9994     1010.48   -94.9994     291.942   -94.9994     
1 1 1 -38 10 4  o 7  18.357       1.43405     378.211   149.809      1333.48   149.809      495.449   149.809      
1 1 1 -38 10 5  o 18 9.09623      0.69071     184.798   69.2268      405.541   69.2268      119.162   69.2268      
1 1 1 -38 10 6  o 2  16.9791      0.984455    1037.12   89.9898      1053.41   89.9898      58.1096   89.9898      
1 1 1 -38 10 7  o 16 8.69489      0.816513    250.097   -89.9235     510.852   -89.9235     142.564   -89.9235     
1 1 1 -38 10 8  o 15 6.37776      0.754563    485.3     -158.082     479.601   -158.082     20.8438   -158.082     
1 1 1 -38 10 9  o 11 -0.615281    0.42449     761.376   42.6957      645.274   -137.304     666.834   -137.304     
1 1 1 -38 10 10 o 4  2.67197      0.516738    542.228   0.914297     33.4128   0.914297     229.627   -179.086     
1 1 1 -38 10 11 o 19 4.87372      0.598552    569.99    -172.978     463.525   -172.978     28.904    7.02245      
1 1 1 -38 10 12 o 5  1.06498      0.383186    127.567   120.237      34.8438   -59.7635     75.9561   -59.7635     
1 1 1 -38 10 13 o 1  14.0858      0.830279    768.358   42.1466      1267.36   42.1466      284.257   42.1466      
1 1 1 -38 10 14 o 7  2.06297      0.422933    364.065   -146.91      206.088   -146.91      57.6477   33.0897      
1 1 1 -38 10 15 o 15 1.07667      0.396194    473.122   170.738      ?         ?            ?         ?            
1 1 1 -38 10 16 o 10 0.787872     0.372941    419.276   -7.17254     ?         ?            ?         ?            
1 1 1 -38 10 17 o 19 1.90102      0.424344    433.794   -37.3794     ?         ?            ?         ?            
1 1 1 -38 10 18 o 12 1.26394      0.625241    99.5061   30.9008      ?         ?            ?         ?            
1 1 1 -38 12 1  o 3  2.73721      0.482248    443.403   -132.404     187.387   -132.404     109.417   47.596       
1 1 1 -38 12 2  o 2  4.13879      0.579863    702.46    -132.97      290.738   -132.97      176.307   47.0297      
1 1 1 -38 12 3  o 15 2.65061      0.4922      414.279   176.208      33.3341   176.208      173.091   -3.79159     
1 1 1 -38 12 4  o 9  4.25871      0.606506    239.508   57.4795      345.428   57.4795      62.9297   57.4795      
1 1 1 -38 12 5  o 7  3.19349      0.558575    404.19    -33.1636     203.885   -33.1636     83.4829   146.836      
1 1 1 -38 12 6  o 1  3.62762      0.524016    722.224   -59.1687     187.813   -59.1687     237.467   120.831      
1 1 1 -38 12 7  o 10 4.34094      0.514372    964.657   161.762      141.648   161.762      370.88    -18.2381     
1 1 1 -38 12 8  o 14 11.0954      1.14926     847.13    147.951      932.801   147.951      81.0654   147.951      
1 1 1 -38 12 9  o 3  1.54804      0.42589     306.21    127.286      86.8283   127.286      93.9116   -52.7136     
1 1 1 -38 12 10 o 1  5.47467      0.584279    339.274   -21.0727     737.677   -21.0727     220.317   -21.0727     
1 1 1 -38 12 11 o 2  5.61972      0.593222    366.181   158.836      776.897   158.836      233.423   158.836      
1 1 1 -38 12 12 o 4  0.686002     0.370989    295.62    141.922      ?         ?            ?         ?            
1 1 1 -38 12 13 o 17 1.34551      0.390612    198.082   125.662      ?         ?            ?         ?            
1 1 1 -38 12 14 o 2  1.81126      0.393617    261.065   92.4296      ?         ?            ?         ?            
1 1 1 -38 12 15 o 15 0.355234     0.435527    208.023   125.53       ?         ?            ?         ?            
1 1 1 -38 14 1  o 16 0.793995     0.491301    125.019   65.6783      18.1469   -114.322     59.9767   -114.322     
1 1 1 -38 14 2  o 17 0.958625     0.416797    567.04    -90.6667     78.487    89.3333      270.549   89.3333      
1 1 1 -38 14 3  f 0  0.217678     0.383931    306.923   -8.81265     237.501   171.187      243.765   171.187      
1 1 1 -38 14 4  o 11 1.55404      0.419652    339.677   109.055      194.247   109.055      40.5938   -70.9446     
1 1 1 -38 14 5  o 16 0.180086     0.422099    195.482   -137.458     75.1865   42.5424      116.284   42.5424      
1 1 1 -38 14 6  o 9  0.678314     0.539895    206.018   -79.5851     2.92383   100.415      83.6859   100.415      
1 1 1 -38 14 7  o 8  1.73494      0.447284    334.213   48.0701      265.871   48.0701      0.684454  48.0701      
1 1 1 -38 14 8  o 16 0.442744     0.435088    253.534   106.423      ?         ?            ?         ?            
1 1 1 -38 14 9  o 2  0.688981     0.503641    203.71    175.078      ?         ?            ?         ?            
1 1 1 -38 14 10 o 12 0.627493     0.381729    108.626   1.32027      ?         ?            ?         ?            
1 1 1 -38 14 11 o 8  0.44705      0.376308    102.175   -85.4732     ?         ?            ?         ?            
1 1 1 -37 1  1  o 17 52.0713      1.89297     1776.88   31.8885      2330.37   31.8885      430.245   31.8885      
1 1 1 -37 1  2  o 17 12.7649      0.637906    762.334   -120.263     932.33    -120.263     150.551   -120.263     
1 1 1 -37 1  3  o 7  29.936       1.34476     2000.14   15.4118      1152.1    15.4118      251.242   -164.588     
1 1 1 -37 1  4  o 15 40.3874      1.67513     2265.3    -2.2935      1546.36   -2.2935      161.092   177.706      
1 1 1 -37 1  5  o 7  17.5837      0.877894    1117.27   -93.0258     1135.73   -93.0258     109.298   -93.0258     
1 1 1 -37 1  6  o 6  36.4106      1.71026     1380.52   -141.542     1625.97   -141.542     250.12    -141.542     
1 1 1 -37 1  7  o 17 30.0536      1.74593     848.979   151.859      1969      151.859      641       151.859      
1 1 1 -37 1  8  o 11 3.25127      0.476771    976.326   103.339      717.002   -76.6613     750.814   -76.6613     
1 1 1 -37 1  9  o 2  60.5611      2.48148     2445.19   66.1886      1247.59   66.1886      355.785   -113.811     
1 1 1 -37 1  10 o 19 4.08496      0.519395    353.172   121.266      271.614   -58.7337     277.976   -58.7337     
1 1 1 -37 1  11 f 0  7.31197      0.696138    1056.79   2.78634      23.5577   2.78634      420.453   -177.214     
1 1 1 -37 1  12 o 1  15.6787      0.788254    1060.45   -100.987     682.65    -100.987     104.308   79.0132      
1 1 1 -37 1  13 o 9  64.5778      2.14851     2265.18   29.4042      2172.4    29.4042      102.397   29.4042      
1 1 1 -37 1  14 o 12 6.52004      0.682668    261.105   86.1679      104.16    86.1679      64.6267   -93.8321     
1 1 1 -37 1  15 o 18 15.0113      0.875419    544.394   -30.7354     1085.49   -30.7354     295.817   -30.7354     
1 1 1 -37 1  16 o 9  9.53567      0.685296    160.047   -137.85      367.699   -137.85      111.302   -137.85      
1 1 1 -37 1  17 o 16 58.432       1.80672     1468.36   -32.4913     2796.27   -32.4913     735.682   -32.4913     
1 1 1 -37 1  18 o 9  3.31146      0.398089    570.338   139.998      75.1636   139.998      221.167   -40.0023     
1 1 1 -37 1  19 o 2  65.5222      2.162       1415.04   64.2275      3122.55   64.2275      912.141   64.2275      
1 1 1 -37 1  20 o 6  7.45425      0.659963    595.186   41.8114      ?         ?            ?         ?            
1 1 1 -37 1  21 o 10 6.07762      0.660697    525.665   -72.6512     ?         ?            ?         ?            
1 1 1 -37 1  22 f 0  4.07656      0.481887    323.608   -5.27909     ?         ?            ?         ?            
1 1 1 -37 1  23 o 3  3.75721      0.529691    215.525   90.7753      ?         ?            ?         ?            
1 1 1 -37 3  1  o 2  44.0235      1.55053     1981.22   87.3307      1693.9    87.3307      39.4161   87.3307      
1 1 1 -37 3  2  o 14 15.2812      0.844415    1166.42   52.3206      862.855   52.3206      44.442    -127.679     
1 1 1 -37 3  3  o 18 13.9818      1.20905     948.092   -3.72938     892.534   -3.72938     59.8252   -3.72938     
1 1 1 -37 3  4  o 17 26.5455      1.33621     644.551   -56.2612     1358.51   -56.2612     417.243   -56.2612     
1 1 1 -37 3  5  o 7  26.21        1.38879     966.822   75.394       1773.24   75.394       495.23    75.394       
1 1 1 -37 3  6  o 5  11.2484      0.859836    659.881   113.349      365.704   113.349      82.9755   -66.6506     
1 1 1 -37 3  7  o 12 35.3689      1.5451      1935.17   -48.9755     1421.94   -48.9755     65.3235   131.024      
1 1 1 -37 3  8  o 6  5.45618      0.508091    506.961   -99.203      68.6077   -99.203      168.822   80.797       
1 1 1 -37 3  9  o 8  13.6318      0.845205    739.128   -179.784     480.28    -179.784     57.4528   0.216049     
1 1 1 -37 3  10 o 17 101.066      3.65017     2571.31   112.199      3280.15   112.199      590.521   112.199      
1 1 1 -37 3  11 o 15 4.36344      0.544093    665.913   -64.5783     238.271   115.422      397.373   115.422      
1 1 1 -37 3  12 o 12 9.66052      0.618205    1141.43   -53.6805     414.835   -53.6805     284.033   126.319      
1 1 1 -37 3  13 o 12 37.5852      1.47065     1479.81   -72.2349     1824.97   -72.2349     256.443   -72.2349     
1 1 1 -37 3  14 o 12 68.7017      2.15486     1477.71   133.76       3090.96   133.76       877.583   133.76       
1 1 1 -37 3  15 o 9  11.9432      0.847832    724.073   -142.936     872.818   -142.936     107.641   -142.936     
1 1 1 -37 3  16 o 11 6.55902      0.5365      1039.16   -175.324     224.448   -175.324     357.354   4.67586      
1 1 1 -37 3  17 o 19 21.3091      0.952844    972.738   -14.9421     1512.36   -14.9421     316.85    -14.9421     
1 1 1 -37 3  18 o 11 5.20332      0.651961    340.318   -141.455     466.051   -141.455     77.6906   -141.455     
1 1 1 -37 3  19 o 1  22.1444      1.47615     1039.42   63.3579      1545.45   63.3579      296.648   63.3579      
1 1 1 -37 3  20 o 15 5.75237      0.559087    497.859   16.3894      ?         ?            ?         ?            
1 1 1 -37 3  21 o 9  -0.101522    0.290848    319.533   -51.1872     ?         ?            ?         ?            
1 1 1 -37 3  22 o 16 1.58628      0.350415    141.43    -139.057     ?         ?            ?         ?            
1 1 1 -37 3  23 o 8  1.0552       0.446229    199.531   144.164      ?         ?            ?         ?            
1 1 1 -37 5  1  o 9  25.059       1.28104     2079.93   -179.397     954.734   -179.397     355.931   0.602753     
1 1 1 -37 5  2  o 10 7.99798      0.490514    465.791   32.3093      161.779   32.3093      105.74    -147.691     
1 1 1 -37 5  3  o 14 23.0425      0.937429    1439.03   142.686      1216.89   142.686      31.9146   142.686      
1 1 1 -37 5  4  f 0  13.0392      0.758685    715.978   147.161      905.584   147.161      165.951   147.161      
1 1 1 -37 5  5  o 13 0.813652     0.34141     667.284   175.524      ?         ?            ?         ?            
1 1 1 -37 5  6  o 15 1.78362      0.442278    418.487   94.6371      ?         ?            ?         ?            
1 1 1 -37 5  7  o 10 9.94442      0.689689    1264.74   -161.215     322.075   -161.215     350.761   18.7847      
1 1 1 -37 5  8  o 9  36.6886      1.61671     1272.68   -68.5992     1976.97   -68.5992     467.364   -68.5992     
1 1 1 -37 5  9  o 4  17.8948      1.23207     725.642   10.5858      931.328   10.5858      163.112   10.5858      
1 1 1 -37 5  10 o 11 123.103      5.0163      3055.54   67.6174      3397.69   67.6174      394.406   67.6174      
1 1 1 -37 5  11 o 1  12.1462      1.00815     618.871   111.226      714.172   111.226      86.0031   111.226      
1 1 1 -37 5  12 o 1  61.0179      2.38275     2028.75   18.4515      2325.33   18.4515      254.26    18.4515      
1 1 1 -37 5  13 o 7  66.5576      2.25743     2106.77   -168.381     2456.08   -168.381     272.964   -168.381     
1 1 1 -37 5  14 o 2  13.1464      0.69369     713.722   3.81831      1012.7    3.81831      182.487   3.81831      
1 1 1 -37 5  15 o 13 19.6201      1.05744     419.309   -120.85      1533.04   -120.85      577.156   -120.85      
1 1 1 -37 5  16 o 6  12.4968      0.738153    781.28    144.304      1027.15   144.304      160.603   144.304      
1 1 1 -37 5  17 o 3  1.70274      0.425911    174.259   13.1911      8.20451   13.1911      75.4243   -166.809     
1 1 1 -37 5  18 o 13 6.78173      0.584407    765.178   -130.403     586.66    -130.403     57.4044   49.597       
1 1 1 -37 5  19 o 7  0.87742      0.53346     679.924   36.1162      ?         ?            ?         ?            
1 1 1 -37 5  20 f 0  4.17729      0.467578    370.082   -99.1233     ?         ?            ?         ?            
1 1 1 -37 5  21 o 4  2.90888      0.546407    503.011   -176.829     ?         ?            ?         ?            
1 1 1 -37 5  22 o 7  0.946451     0.335278    271.998   -146.853     ?         ?            ?         ?            
1 1 1 -37 7  1  o 2  4.73802      0.618733    166.093   131.87       9.50023   -48.1299     73.7884   -48.1299     
1 1 1 -37 7  2  o 18 15.5292      1.1058      1300.3    149.926      200.335   149.926      439.515   -30.0742     
1 1 1 -37 7  3  o 1  1.10532      0.405234    658.272   -11.061      ?         ?            ?         ?            
1 1 1 -37 7  4  o 12 4.58363      0.582461    555.766   -106.652     ?         ?            ?         ?            
1 1 1 -37 7  5  o 13 44.3033      1.82814     1427.79   173.151      2202.77   173.151      500.593   173.151      
1 1 1 -37 7  6  o 1  25.9856      1.72327     1646.69   169.601      1069.14   169.601      166.092   -10.3991     
1 1 1 -37 7  7  o 8  26.7183      1.25585     1351.94   2.58869      1435.22   2.58869      134.144   2.58869      
1 1 1 -37 7  8  o 2  31.0669      1.31857     1709.01   -22.3388     1322.14   -22.3388     88.4702   157.661      
1 1 1 -37 7  9  o 2  4.62212      0.520934    462.363   85.8425      31.0993   85.8425      190.46    -94.1575     
1 1 1 -37 7  10 o 5  16.8041      0.927834    444.733   27.589       1109.62   27.589       354.183   27.589       
1 1 1 -37 7  11 f 0  13.9949      0.799972    729.318   100.025      943.135   100.025      140.518   100.025      
1 1 1 -37 7  12 o 16 16.9025      0.840571    1169.96   -72.7885     1028.92   -72.7885     16.2663   107.211      
1 1 1 -37 7  13 o 11 10.8898      0.914408    1013.84   -149.39      605.87    -149.39      155.081   30.6096      
1 1 1 -37 7  14 o 12 6.22743      0.775727    371.722   5.16631      515.072   5.16631      89.7645   5.16631      
1 1 1 -37 7  15 o 2  4.88342      0.633742    300.439   22.3087      410.458   22.3087      68.673    22.3087      
1 1 1 -37 7  16 o 18 2.68608      0.446346    628.524   0.307357     0.52567   -179.693     288.546   -179.693     
1 1 1 -37 7  17 o 19 5.58322      0.524314    432.351   129.855      672.468   129.855      139.71    129.855      
1 1 1 -37 7  18 o 8  3.94088      0.466296    169.101   -8.33327     ?         ?            ?         ?            
1 1 1 -37 7  19 o 19 1.07724      0.34126     261.041   111.265      ?         ?            ?         ?            
1 1 1 -37 7  20 o 11 5.8769       0.522566    461.813   -30.6843     ?         ?            ?         ?            
1 1 1 -37 7  21 o 6  3.09811      0.593872    308.358   -57.6279     ?         ?            ?         ?            
1 1 1 -37 9  1  o 12 7.19001      0.59554     1153.17   -129.885     31.249    -129.885     504.011   50.1146      
1 1 1 -37 9  2  o 7  45.7589      1.94818     1675.9    113.481      1976.51   113.481      233.58    113.481      
1 1 1 -37 9  3  o 1  17.0342      0.974967    913.437   -15.4491     1115.17   -15.4491     145.978   -15.4491     
1 1 1 -37 9  4  o 17 25.343       1.23393     1659.73   -69.8946     1036      -69.8946     231.265   110.105      
1 1 1 -37 9  5  o 13 10.0698      0.918991    457.214   -114.65      594.926   -114.65      90.5483   -114.65      
1 1 1 -37 9  6  o 9  6.54316      0.914794    247.259   175.727      218.592   175.727      2.85838   -4.27285     
1 1 1 -37 9  7  o 15 25.8081      1.53428     1120.5    -16.7534     1529.22   -16.7534     255.767   -16.7534     
1 1 1 -37 9  8  o 6  4.997        0.585273    479.758   -17.0162     57.7334   162.984      246.591   162.984      
1 1 1 -37 9  9  o 11 9.96446      0.734422    738.667   146.725      730.559   146.725      30.8656   146.725      
1 1 1 -37 9  10 o 8  15.3158      0.858163    672.495   54.2774      1211.75   54.2774      302.264   54.2774      
1 1 1 -37 9  11 o 3  7.39687      0.678765    721.122   -9.09512     536.917   -9.09512     56.9496   170.905      
1 1 1 -37 9  12 o 1  13.0765      1.0106      681.266   -34.8271     1160.35   -34.8271     271.427   -34.8271     
1 1 1 -37 9  13 o 3  5.52598      0.566728    628.039   -103.391     471.344   -103.391     51.2893   76.6092      
1 1 1 -37 9  14 o 6  5.76569      0.547904    705.997   1.61033      522.013   1.61033      62.8973   -178.39      
1 1 1 -37 9  15 o 15 1.7243       0.399719    257.682   -94.1446     86.8766   -94.1446     73.0961   85.8554      
1 1 1 -37 9  16 o 18 2.16699      0.398199    389.458   -166.948     ?         ?            ?         ?            
1 1 1 -37 9  17 o 15 0.0685924    0.3423      456.601   124.669      ?         ?            ?         ?            
1 1 1 -37 9  18 o 12 2.60138      0.549287    132.467   -141.366     ?         ?            ?         ?            
1 1 1 -37 9  19 o 7  0.121047     0.362605    130.607   -70.0339     ?         ?            ?         ?            
1 1 1 -37 11 1  o 7  2.95392      0.444098    653.01    -30.4024     91.9563   149.598      340.584   149.598      
1 1 1 -37 11 2  o 2  6.42427      0.63384     734.712   -112.316     466.208   -112.316     98.3511   67.6842      
1 1 1 -37 11 3  o 5  2.70803      0.483953    672.537   -159.64      218.561   20.36        412.696   20.36        
1 1 1 -37 11 4  o 7  10.4122      0.747846    398.24    -70.7265     924.096   -70.7265     282.348   -70.7265     
1 1 1 -37 11 5  o 18 2.22634      0.457045    590.609   169.072      162.788   -10.9276     348.06    -10.9276     
1 1 1 -37 11 6  o 6  31.6747      1.41154     1308.52   -127.904     1825.1    -127.904     320.874   -127.904     
1 1 1 -37 11 7  o 12 2.74053      0.564389    313.962   83.1104      110.142   83.1104      87.2922   -96.8896     
1 1 1 -37 11 8  o 7  0.989169     0.3751      219.006   -41.4688     88.9057   138.531      144.186   138.531      
1 1 1 -37 11 9  o 1  1.42285      0.38647     268.68    -23.2436     46.4515   156.756      146.183   156.756      
1 1 1 -37 11 10 f 0  0.88587      0.497639    686.435   169.241      366.881   -10.7588     498.427   -10.7588     
1 1 1 -37 11 11 o 1  0.542023     0.453386    166.72    77.96        98.3802   -102.04      125.322   -102.04      
1 1 1 -37 11 12 o 14 1.85745      0.425587    390.093   115.836      114.082   115.836      117.739   -64.1643     
1 1 1 -37 11 13 o 15 3.09043      0.440016    490.899   172.323      386.571   172.323      18.8294   -7.67726     
1 1 1 -37 11 14 o 3  0.897277     0.37239     307.497   -158.603     ?         ?            ?         ?            
1 1 1 -37 11 15 o 8  0.421149     0.34283     238.198   -1.406       ?         ?            ?         ?            
1 1 1 -37 11 16 o 3  2.21904      0.441874    457.707   -176.832     ?         ?            ?         ?            
1 1 1 -37 11 17 o 18 0.754703     0.429324    217.59    -26.9896     ?         ?            ?         ?            
1 1 1 -37 13 1  o 9  1.55502      0.460448    512.957   -31.9344     88.628    148.066      276.198   148.066      
1 1 1 -37 13 2  o 10 3.76177      0.598199    524.733   -166.774     368.529   -166.774     53.2008   13.2264      
1 1 1 -37 13 3  o 7  1.48167      0.498665    654.79    -124.394     164.479   55.6063      378.243   55.6063      
1 1 1 -37 13 4  o 10 1.88929      0.43651     147.214   -8.14379     89.0686   -8.14379     21.7838   171.856      
1 1 1 -37 13 5  o 16 1.70308      0.478861    277.408   -119.979     123.882   -119.979     62.2045   60.0214      
1 1 1 -37 13 6  o 14 1.21819      0.421324    170.455   131.039      7.16459   131.039      71.8783   -48.9613     
1 1 1 -37 13 7  o 18 1.84829      0.501111    497.443   -90.225      125.756   -90.225      153.813   89.775       
1 1 1 -37 13 8  o 10 -0.444505    0.329165    93.5016   -78.2236     72.1335   101.776      75.9159   101.776      
1 1 1 -37 13 9  o 2  3.31584      0.491321    388.272   -5.25428     463.815   -5.25428     70.6961   -5.25428     
1 1 1 -37 13 10 o 4  1.23036      0.408826    86.4844   131.047      56.7865   131.047      6.59171   -48.9534     
1 1 1 -37 13 11 o 3  2.62402      0.461421    591.812   -5.81816     ?         ?            ?         ?            
1 1 1 -37 13 12 o 19 1.46066      0.4174      212.886   -43.4368     ?         ?            ?         ?            
1 1 1 -37 13 13 o 1  0.93766      0.361478    158.386   145.768      ?         ?            ?         ?            
1 1 1 -37 13 14 o 19 -0.227705    0.302531    154.955   -72.2802     ?         ?            ?         ?            
1 1 1 -37 15 1  o 16 1.11543      0.435877    153.235   81.6474      122.763   81.6474      1.81674   81.6474      
1 1 1 -37 15 2  o 15 2.16024      0.568455    123.54    -75.1405     294.616   -75.1405     99.2452   -75.1405     
1 1 1 -37 15 3  o 12 0.896653     0.46492     171.675   87.506       53.9388   87.506       39.7639   -92.494      
1 1 1 -37 15 4  o 8  0.502129     0.488911    105.516   86.1004      2.67339   -93.8996     42.2408   -93.8996     
1 1 1 -37 15 5  o 17 0.18474      0.417374    316.911   -108.246     ?         ?            ?         ?            
1 1 1 -37 15 6  o 3  1.2715       0.38774     245.739   -126.084     ?         ?            ?         ?            
1 1 1 -37 15 7  o 13 0.39156      0.385431    302.158   -126.908     ?         ?            ?         ?            
1 1 1 -37 15 8  o 19 0.800099     0.490068    243.592   -95.0572     ?         ?            ?         ?            
1 1 1 -36 0  1  o 9  49.4202      3.25347     1851.9    180          2348.98   180          402.268   180          
1 1 1 -36 0  2  o 9  6.43387      0.951794    1029.42   0            133.035   0            363.066   180          
1 1 1 -36 0  3  o 14 2.51037      0.507534    319.64    180          ?         ?            ?         ?            
1 1 1 -36 0  4  o 2  15.3224      1.2801      1110.52   0            1173.53   0            125.046   0            
1 1 1 -36 0  5  o 19 36.1004      2.65203     1366.19   0            2193.05   0            531.188   0            
1 1 1 -36 0  6  o 7  22.6643      2.12873     1040.36   0            1430.56   0            287.713   0            
1 1 1 -36 0  7  o 13 19.375       1.41503     1096.07   0            1393.09   0            249.962   0            
1 1 1 -36 0  8  o 14 1.76417      0.451272    71.2567   0            32.5186   180          45.0295   180          
1 1 1 -36 0  9  o 9  0.83494      0.536652    239.41    180          187.206   1.81202e-16  189.623   8.94462e-17  
1 1 1 -36 0  10 o 9  49.0909      2.39296     637.775   0            2383.17   0            935.796   0            
1 1 1 -36 0  11 o 18 13.5092      1.19929     1071.77   180          1008.48   180          69.6177   180          
1 1 1 -36 0  12 o 3  1.32503      0.393383    89.4751   180          54.4194   2.566e-15    64.3699   1.08467e-15  
1 1 1 -36 0  13 o 9  1.27225      0.43919     107.949   180          ?         ?            ?         ?            
1 1 1 -36 0  14 o 17 0.681908     0.358233    913.319   0            ?         ?            ?         ?            
1 1 1 -36 0  15 o 19 56.4702      3.08805     2012.36   180          2340.26   180          259.601   180          
1 1 1 -36 0  16 o 7  16.8546      1.20812     1131.3    0            792.182   0            117.339   180          
1 1 1 -36 0  17 o 3  3.41127      0.654817    714.72    0            35.6912   0            304.796   180          
1 1 1 -36 0  18 o 5  22.923       1.40519     1251.44   0            1493.98   0            180.591   0            
1 1 1 -36 0  19 o 15 4.36388      0.755785    168.839   180          268.151   180          56.7293   180          
1 1 1 -36 0  20 o 8  33.1397      1.529       478.971   0            2754.35   0            1159.53   0            
1 1 1 -36 0  21 o 15 3.63772      0.679758    770.757   0            ?         ?            ?         ?            
1 1 1 -36 0  22 o 18 3.92995      0.731241    281.768   180          ?         ?            ?         ?            
1 1 1 -36 0  23 o 2  1.88463      0.681841    232.15    0            ?         ?            ?         ?            
1 1 1 -36 2  1  o 17 28.3075      1.34864     1100.66   -178.378     1650.94   -178.378     369.682   -178.378     
1 1 1 -36 2  2  o 7  32.0369      1.19588     2029.02   67.0707      1206.63   67.0707      237.618   -112.929     
1 1 1 -36 2  3  o 19 26.542       1.04061     1504.78   139.549      1179.81   139.549      33.1068   -40.4509     
1 1 1 -36 2  4  f 0  77.4252      3.07454     2009.98   75.3476      2972.48   75.3476      656.533   75.3476      
1 1 1 -36 2  5  o 9  67.1976      2.86358     2238.8    -105.439     2576.39   -105.439     368.589   -105.439     
1 1 1 -36 2  6  o 18 39.6467      1.6643      2243.51   -7.64328     1546.08   -7.64328     142.272   172.357      
1 1 1 -36 2  7  o 10 13.4904      0.725452    200.976   -122.287     54.5219   -122.287     54.0924   57.7132      
1 1 1 -36 2  8  o 4  10.6931      0.656552    358.038   -70.5943     417.294   -70.5943     64.7451   -70.5943     
1 1 1 -36 2  9  o 14 44.7504      1.71332     1718.94   -170.785     1729.52   -170.785     176.124   -170.785     
1 1 1 -36 2  10 o 12 33.8555      1.36175     1560.76   -163.209     1500.3    -163.209     121.973   -163.209     
1 1 1 -36 2  11 o 4  82.4944      2.57699     2678.21   135.602      2516.74   135.602      163.188   135.602      
1 1 1 -36 2  12 o 16 15.6208      0.748787    1119.53   -34.2791     400.085   -34.2791     270.379   145.721      
1 1 1 -36 2  13 o 2  11.1702      0.776133    824.298   -103.527     140.541   -103.527     287.762   76.4731      
1 1 1 -36 2  14 o 10 12.3346      0.671651    866.008   54.3141      683.018   54.3141      45.6325   -125.686     
1 1 1 -36 2  15 o 5  102.878      3.79897     2594.96   141.545      3176.41   141.545      411.096   141.545      
1 1 1 -36 2  16 o 8  34.3564      1.63849     1582.82   177.839      1671.04   177.839      118.098   177.839      
1 1 1 -36 2  17 o 12 8.73199      0.569518    379.082   -148.703     673.378   -148.703     165.669   -148.703     
1 1 1 -36 2  18 o 12 6.58901      0.714946    526.124   119.949      629.961   119.949      76.2371   119.949      
1 1 1 -36 2  19 o 13 6.66514      0.532245    149.235   118.098      496.153   118.098      179.611   118.098      
1 1 1 -36 2  20 o 6  6.45495      0.634016    608.228   86.7265      ?         ?            ?         ?            
1 1 1 -36 2  21 o 19 4.20499      0.465867    336.025   82.3938      ?         ?            ?         ?            
1 1 1 -36 2  22 f 0  2.56778      0.434969    125.709   -80.2419     ?         ?            ?         ?            
1 1 1 -36 2  23 o 13 1.39128      0.383387    192.421   37.1485      ?         ?            ?         ?            
1 1 1 -36 4  1  o 14 7.59247      0.612491    1328.85   105.835      102.097   105.835      487.577   -74.1654     
1 1 1 -36 4  2  o 13 23.1776      1.00278     1339.89   50.0728      1366.07   50.0728      139.538   50.0728      
1 1 1 -36 4  3  o 6  58.3906      1.94178     1686.8    82.3901      2563.33   82.3901      598.066   82.3901      
1 1 1 -36 4  4  o 11 15.0844      1.20393     433.332   -23.9309     162.864   -23.9309     93.7573   156.069      
1 1 1 -36 4  5  o 17 17.7558      0.949563    818.252   97.3375      1079.26   97.3375      209.973   97.3375      
1 1 1 -36 4  6  o 16 12.1173      0.765593    1486.65   55.8024      551.528   55.8024      321.036   -124.198     
1 1 1 -36 4  7  o 12 17.2201      0.945053    1293.96   164.687      796.686   164.687      120.052   -15.313      
1 1 1 -36 4  8  f 0  3.668        0.484538    436.132   70.1688      ?         ?            ?         ?            
1 1 1 -36 4  9  o 14 18.5464      0.935978    853.45    -57.1339     1203.81   -57.1339     256.34    -57.1339     
1 1 1 -36 4  10 o 5  76.1892      4.43454     2314.7    -89.8142     2778.34   -89.8142     435.471   -89.8142     
1 1 1 -36 4  11 o 1  79.0987      2.81804     2274.6    52.901       2884.49   52.901       480.633   52.901       
1 1 1 -36 4  12 o 15 9.25651      0.609545    1134.88   -82.6123     329.222   -82.6123     329.665   97.3877      
1 1 1 -36 4  13 o 3  38.5871      1.78996     1383.6    -8.26995     1981.68   -8.26995     372.404   -8.26995     
1 1 1 -36 4  14 o 13 8.74812      0.641195    749.682   62.8931      547.328   62.8931      66.2146   -117.107     
1 1 1 -36 4  15 o 2  5.61248      0.518849    307.625   137.195      202.404   137.195      38.3364   -42.8046     
1 1 1 -36 4  16 o 17 3.78148      0.44935     732.145   -141.096     88.9407   -141.096     285.979   38.9043      
1 1 1 -36 4  17 o 13 9.82556      0.756304    589.642   -89.1908     911.436   -89.1908     188.886   -89.1908     
1 1 1 -36 4  18 o 4  1.30455      0.389356    711.157   66.7119      349.991   -113.288     500.547   -113.288     
1 1 1 -36 4  19 o 8  5.28013      0.490449    589.898   -129.842     545.237   -129.842     3.61092   -129.842     
1 1 1 -36 4  20 o 4  0.533093     0.389048    559.585   15.3983      ?         ?            ?         ?            
1 1 1 -36 4  21 o 17 2.00761      0.539095    260.069   48.9044      ?         ?            ?         ?            
1 1 1 -36 4  22 o 11 0.668881     0.361259    241.226   79.6789      ?         ?            ?         ?            
1 1 1 -36 4  23 o 4  0.416059     0.314317    64.8173   -142.677     ?         ?            ?         ?            
1 1 1 -36 6  1  o 14 3.20977      0.517351    767.996   104.867      199.788   -75.1328     408.527   -75.1328     
1 1 1 -36 6  2  o 3  1.79802      0.342295    484.456   -87.8615     225.131   92.1385      307.168   92.1385      
1 1 1 -36 6  3  o 12 37.7767      1.45866     1505.06   -48.2025     1945.08   -48.2025     367.644   -48.2025     
1 1 1 -36 6  4  o 4  3.98934      0.537138    1152.75   141.478      156.366   -38.5218     542.313   -38.5218     
1 1 1 -36 6  5  o 2  8.97714      0.634035    986.878   -93.9996     501.603   -93.9996     148.038   86.0004      
1 1 1 -36 6  6  o 1  6.63271      1.4285      437.282   -54.3724     252.794   -54.3724     51.5354   125.628      
1 1 1 -36 6  7  o 12 111.801      4.2355      3050.07   139.617      3232.73   139.617      361.471   139.617      
1 1 1 -36 6  8  o 9  11.1239      1.02231     1069.63   -156.519     563.951   -156.519     165.242   23.4806      
1 1 1 -36 6  9  o 16 31.6543      1.24627     1718.55   -14.2421     1462.65   -14.2421     2.25644   165.758      
1 1 1 -36 6  10 o 7  27.2906      1.28588     1475.99   -175.881     1346.31   -175.881     28.411    -175.881     
1 1 1 -36 6  11 o 16 82.5019      2.78949     1870.03   10.5395      3197.19   10.5395      764.338   10.5395      
1 1 1 -36 6  12 o 4  33.7559      1.32735     1861.09   98.3028      1355.16   98.3028      164.336   -81.6972     
1 1 1 -36 6  13 o 4  7.79606      0.580306    700.93    13.8957      366.07    13.8957      135.263   -166.104     
1 1 1 -36 6  14 o 4  53.8797      2.24353     1491.97   132.768      2565.15   132.768      607.594   132.768      
1 1 1 -36 6  15 o 13 35.6086      1.5147      1458.82   69.9765      1887.83   69.9765      285.771   69.9765      
1 1 1 -36 6  16 o 19 3.34813      0.537834    320.101   173.83       197.866   173.83       46.3763   -6.1704      
1 1 1 -36 6  17 o 6  1.10764      0.421863    186.06    -60.2957     62.0215   119.704      116.335   119.704      
1 1 1 -36 6  18 o 18 11.6192      0.692601    502.412   17.6994      1259.65   17.6994      401.656   17.6994      
1 1 1 -36 6  19 o 8  0.844696     0.343219    246.59    79.1638      ?         ?            ?         ?            
1 1 1 -36 6  20 o 11 1.27228      0.339837    338.004   29.3594      ?         ?            ?         ?            
1 1 1 -36 6  21 o 8  4.66572      0.680393    319.099   5.05314      ?         ?            ?         ?            
1 1 1 -36 6  22 o 6  0.734473     0.476507    88.7345   -20.5503     ?         ?            ?         ?            
1 1 1 -36 8  1  o 7  1.51793      0.35955     261.01    -6.41129     ?         ?            ?         ?            
1 1 1 -36 8  2  o 16 0.613763     0.262458    927.4     81.6294      ?         ?            ?         ?            
1 1 1 -36 8  3  o 18 4.81075      0.463018    658.336   178.095      64.5088   -1.90458     315.471   -1.90458     
1 1 1 -36 8  4  f 0  6.14399      0.638552    638.976   -20.2084     118.687   -20.2084     216.868   159.792      
1 1 1 -36 8  5  o 18 34.5548      1.85666     1286.25   -16.5335     1747.82   -16.5335     313.638   -16.5335     
1 1 1 -36 8  6  o 6  6.23309      0.598192    741.946   -155.273     33.5388   24.7271      343.161   24.7271      
1 1 1 -36 8  7  o 2  38.5471      1.77559     1527.43   155.565      1739.42   155.565      190.339   155.565      
1 1 1 -36 8  8  o 15 5.06661      0.735638    330.589   79.5376      104.882   79.5376      96.1276   -100.462     
1 1 1 -36 8  9  o 10 6.88505      0.615377    1137.88   -88.0694     119.895   -88.0694     455.287   91.9306      
1 1 1 -36 8  10 o 10 10.5689      0.72841     895.408   179.001      681.326   179.001      65.9663   -0.9987      
1 1 1 -36 8  11 o 10 0.836779     0.332359    247.881   34.0988      159.816   -145.901     192.277   -145.901     
1 1 1 -36 8  12 o 11 6.89841      0.582206    566.235   145.939      397.859   145.939      56.7946   -34.0608     
1 1 1 -36 8  13 o 15 3.96251      0.585168    227.551   99.8516      98.6828   99.8516      53.361    -80.1484     
1 1 1 -36 8  14 o 15 7.33831      0.650026    119.248   -57.5809     347.81    -57.5809     119.745   -57.5809     
1 1 1 -36 8  15 o 5  6.12569      0.580257    752.263   -155.326     516.076   -155.326     86.7502   24.674       
1 1 1 -36 8  16 o 17 5.67181      0.679415    530.573   173.133      626.577   173.133      71.094    173.133      
1 1 1 -36 8  17 o 8  2.81607      0.560685    432.804   -26.2517     317.83    -26.2517     31.7488   153.748      
1 1 1 -36 8  18 o 3  1.4237       0.363767    212.88    48.5987      ?         ?            ?         ?            
1 1 1 -36 8  19 o 14 1.67345      0.399398    235.099   115.542      ?         ?            ?         ?            
1 1 1 -36 8  20 o 14 1.91526      0.467781    413.06    142.728      ?         ?            ?         ?            
1 1 1 -36 10 1  o 9  6.47835      0.690111    787.56    -18.1345     214.769   -18.1345     250.231   161.866      
1 1 1 -36 10 2  o 15 6.45936      0.68961     201.602   -71.6333     186.408   -71.6333     1.65608   -71.6333     
1 1 1 -36 10 3  o 9  25.0711      1.15017     962.219   160.251      1573.28   160.251      349.723   160.251      
1 1 1 -36 10 4  o 13 15.334       0.909789    938.548   175.679      1058.68   175.679      103.286   175.679      
1 1 1 -36 10 5  o 17 14.7801      0.86736     635.081   20.5196      1099.76   20.5196      261.79    20.5196      
1 1 1 -36 10 6  o 2  9.27882      0.893085    712.838   -60.1123     692.6     -60.1123     23.3713   -60.1123     
1 1 1 -36 10 7  o 12 21.5316      1.07144     1418.64   -146.871     1148.99   -146.871     66.9602   33.1287      
1 1 1 -36 10 8  o 4  7.31841      0.665737    637.034   39.2779      529.365   39.2779      22.8447   -140.722     
1 1 1 -36 10 9  o 10 2.28511      0.694533    776.866   -119.839     195.2     60.1614      448.114   60.1614      
1 1 1 -36 10 10 o 3  19.2457      1.10858     983.909   -146.179     1325.63   -146.179     217.701   -146.179     
1 1 1 -36 10 11 o 13 10.7758      0.839351    704.861   85.9229      973.747   85.9229      166.027   85.9229      
1 1 1 -36 10 12 o 1  4.36579      0.522899    329.615   35.8092      389.795   35.8092      43.8397   35.8092      
1 1 1 -36 10 13 f 0  4.08612      0.522675    280.658   -67.4984     395.601   -67.4984     69.2713   -67.4984     
1 1 1 -36 10 14 o 15 1.19454      0.399449    293.609   120.393      3.61792   120.393      130.054   -59.6073     
1 1 1 -36 10 15 o 3  2.2191       0.457525    192.393   70.0221      224.562   70.0221      29.5388   70.0221      
1 1 1 -36 10 16 o 3  1.09632      0.389839    237.681   36.5346      ?         ?            ?         ?            
1 1 1 -36 10 17 o 4  1.11271      0.401852    174.88    -167.717     ?         ?            ?         ?            
1 1 1 -36 10 18 o 7  1.63828      0.458007    790.825   -146.273     ?         ?            ?         ?            
1 1 1 -36 10 19 o 1  0.871232     0.436108    41.4992   -65.7268     ?         ?            ?         ?            
1 1 1 -36 12 1  o 4  1.49723      0.393326    515.889   117.258      286.458   -62.7425     378.355   -62.7425     
1 1 1 -36 12 2  o 5  4.4277       0.564844    1403.06   14.9823      256.297   -165.018     767.385   -165.018     
1 1 1 -36 12 3  o 14 5.10671      0.602747    313.89    13.7415      367.749   13.7415      40.8012   13.7415      
1 1 1 -36 12 4  o 4  1.62414      0.418725    348.266   86.038       87.5347   -93.962      202.706   -93.962      
1 1 1 -36 12 5  o 9  0.320131     0.446458    464.279   -166.066     ?         ?            ?         ?            
1 1 1 -36 12 6  o 16 0.448199     0.329376    121.383   19.7476      83.9034   -160.252     97.5736   -160.252     
1 1 1 -36 12 7  o 4  0.907302     0.431158    247.963   -163.221     95.8157   16.7786      161.688   16.7786      
1 1 1 -36 12 8  o 16 0.991993     0.39025     289.706   41.4741      128.321   -138.526     196.897   -138.526     
1 1 1 -36 12 9  o 19 0.967782     0.500785    198.905   120.186      47.5485   -59.8137     114.216   -59.8137     
1 1 1 -36 12 10 o 5  4.81549      0.515782    222.201   -46.789      574.7     -46.789      188.075   -46.789      
1 1 1 -36 12 11 o 4  5.0346       0.559557    270.582   -51.459      671.171   -51.459      218.231   -51.459      
1 1 1 -36 12 12 o 12 0.738524     0.336648    143.827   -96.6161     22.7225   83.3839      71.3856   83.3839      
1 1 1 -36 12 13 o 15 0.562635     0.331365    279.57    -141.689     ?         ?            ?         ?            
1 1 1 -36 12 14 o 5  2.4202       0.456955    155.278   -46.7247     ?         ?            ?         ?            
1 1 1 -36 12 15 o 2  1.20455      0.381773    219.093   118.877      ?         ?            ?         ?            
1 1 1 -36 12 16 o 4  0.334651     0.395214    190.14    -29.0788     ?         ?            ?         ?            
1 1 1 -36 14 1  o 13 1.18983      0.531211    268.504   2.33573      20.511    2.33573      101.952   -177.664     
1 1 1 -36 14 2  o 4  1.91206      0.427099    430.052   69.4574      225.104   69.4574      67.4884   -110.543     
1 1 1 -36 14 3  o 16 1.14178      0.407242    270.512   64.2858      44.1952   64.2858      90.903    -115.714     
1 1 1 -36 14 4  o 4  3.35897      0.472532    307.478   -116.167     505.841   -116.167     125.256   -116.167     
1 1 1 -36 14 5  o 10 0.25346      0.355502    234.549   -25.9369     106.692   154.063      149.802   154.063      
1 1 1 -36 14 6  o 15 -0.0392779   0.43716     195.046   -148.258     101.663   31.7416      130.073   31.7416      
1 1 1 -36 14 7  o 7  0.310725     0.359053    163.829   21.3469      57.1759   -158.653     94.2836   -158.653     
1 1 1 -36 14 8  o 11 1.73723      0.475823    466.759   -93.1996     217.995   -93.1996     75.9792   86.8004      
1 1 1 -36 14 9  o 14 0.973037     0.419508    149.887   177.674      ?         ?            ?         ?            
1 1 1 -36 14 10 o 17 -0.586455    0.247431    275.874   54.8155      ?         ?            ?         ?            
1 1 1 -36 14 11 o 11 0.0646419    0.318287    67.097    -176.242     ?         ?            ?         ?            
1 1 1 -36 14 12 o 7  0.0941003    0.306727    123.917   -43.7909     ?         ?            ?         ?            
1 1 1 -35 1  1  o 19 9.06028      0.647363    990.639   9.76828      384.292   9.76828      222.602   -170.232     
1 1 1 -35 1  2  o 5  9.71325      0.581239    990.019   -171.543     423.112   -171.543     203.188   8.45673      
1 1 1 -35 1  3  o 14 7.65163      0.724789    444.741   143.856      124.46    143.856      123.906   -36.1437     
1 1 1 -35 1  4  o 9  28.9009      1.60887     1689.17   -140.514     1262.65   -140.514     73.7869   39.486       
1 1 1 -35 1  5  o 3  54.26        2.25139     1507.07   118.501      2615.24   118.501      681.398   118.501      
1 1 1 -35 1  6  o 2  33.3801      1.52745     1164.36   6.95187      1772.17   6.95187      405.542   6.95187      
1 1 1 -35 1  7  o 16 5.08925      0.803384    418.186   22.8272      ?         ?            ?         ?            
1 1 1 -35 1  8  o 5  36.235       1.70918     1425.38   67.7952      1896.12   67.7952      370.777   67.7952      
1 1 1 -35 1  9  o 15 4.73994      0.467086    1001.99   22.8196      570.214   -157.18      687.562   -157.18      
1 1 1 -35 1  10 o 5  29.3536      1.12302     852.074   126.106      1674.34   126.106      495.727   126.106      
1 1 1 -35 1  11 o 7  5.42675      0.598402    493.989   51.4929      203.36    -128.507     301.318   -128.507     
1 1 1 -35 1  12 f 0  11.918       0.756809    761.195   111.909      515.709   111.909      56.606    -68.0911     
1 1 1 -35 1  13 o 12 1.80592      0.319861    857.232   -98.6358     ?         ?            ?         ?            
1 1 1 -35 1  14 o 18 4.84638      0.502974    165.344   175.519      12.5054   -4.48115     79.2658   -4.48115     
1 1 1 -35 1  15 o 18 31.7597      1.19735     1262.78   -6.63311     1714.6    -6.63311     286.861   -6.63311     
1 1 1 -35 1  16 o 17 25.8645      1.06835     1108.78   103.893      1478.32   103.893      235.764   103.893      
1 1 1 -35 1  17 o 15 51.5003      2.09055     1318.38   129.178      2629.5    129.178      719.335   129.178      
1 1 1 -35 1  18 o 9  7.04474      0.496828    280.408   33.028       573.359   33.028       159.876   33.028       
1 1 1 -35 1  19 o 15 7.52649      0.57584     725.749   -138.777     606.674   -138.777     28.8503   41.2225      
1 1 1 -35 1  20 o 13 1.43589      0.421244    121.451   -84.969      29.1096   -84.969      40.7622   95.031       
1 1 1 -35 1  21 o 9  6.0584       0.5646      216.002   176.65       ?         ?            ?         ?            
1 1 1 -35 1  22 f 0  6.45431      0.588661    560.392   28.0861      ?         ?            ?         ?            
1 1 1 -35 1  23 o 7  0.809838     0.337474    94.8352   -82.3546     ?         ?            ?         ?            
1 1 1 -35 3  1  o 14 4.44691      0.439284    163.574   -152.533     78.4275   27.4674      106.771   27.4674      
1 1 1 -35 3  2  o 10 8.01095      0.632982    90.5399   91.6929      93.151    91.6929      9.15337   91.6929      
1 1 1 -35 3  3  o 1  32.0019      1.58319     1594.95   -31.148      1383.6    -31.148      33.34     -31.148      
1 1 1 -35 3  4  o 18 30.0349      1.13209     1619.32   -165.744     1537.6    -165.744     102.354   -165.744     
1 1 1 -35 3  5  o 6  44.4154      1.76926     1566.23   34.4254      2248.57   34.4254      482.935   34.4254      
1 1 1 -35 3  6  o 9  3.24643      0.345845    992.28    111.058      ?         ?            ?         ?            
1 1 1 -35 3  7  o 14 15.4319      0.876574    903.256   20.2744      849.706   20.2744      60.1523   20.2744      
1 1 1 -35 3  8  o 5  42.0695      1.62728     1855.36   49.8241      1744.7    49.8241      127.754   49.8241      
1 1 1 -35 3  9  o 5  1.1276       0.391068    258.421   177.895      ?         ?            ?         ?            
1 1 1 -35 3  10 o 9  12.8941      0.834385    788.091   13.1397      325.432   13.1397      155.294   -166.86      
1 1 1 -35 3  11 o 13 34.4184      1.44481     1255.9    -93.2018     1931.59   -93.2018     449.718   -93.2018     
1 1 1 -35 3  12 o 15 13.0593      0.818996    727.29    35.0669      746.645   35.0669      65.7958   35.0669      
1 1 1 -35 3  13 o 8  18.2774      0.780847    247.046   174.015      636.385   174.015      210.25    174.015      
1 1 1 -35 3  14 o 8  20.2865      1.00585     1096.09   8.60844      1083.45   8.60845      49.9059   8.60845      
1 1 1 -35 3  15 o 16 14.3995      1.03548     1069.02   3.94655      791.203   3.94655      89.691    -176.053     
1 1 1 -35 3  16 o 5  15.629       0.895989    1040.79   -33.1535     1034.41   -33.1535     45.8893   -33.1535     
1 1 1 -35 3  17 o 15 31.4101      1.25961     1862.54   129.285      1345.26   129.285      167.64    -50.7147     
1 1 1 -35 3  18 o 11 23.6319      1.021       1027.84   -115.868     1536.48   -115.868     300.994   -115.868     
1 1 1 -35 3  19 o 17 9.83776      1.14075     257.208   -140.781     1013.89   -140.781     388.918   -140.781     
1 1 1 -35 3  20 o 7  4.05516      0.47628     511.3     165.843      ?         ?            ?         ?            
1 1 1 -35 3  21 o 13 0.553293     0.331911    111.535   140.833      ?         ?            ?         ?            
1 1 1 -35 3  22 o 18 4.59098      0.500988    480.194   28.3235      ?         ?            ?         ?            
1 1 1 -35 3  23 o 6  0.649818     0.413298    148.664   -10.8103     ?         ?            ?         ?            
1 1 1 -35 5  1  o 11 13.6473      0.684074    1019.47   -127.839     912.762   -127.839     46.1396   -127.839     
1 1 1 -35 5  2  o 5  5.16725      0.436709    1206.43   11.3054      550.218   -168.695     760.804   -168.695     
1 1 1 -35 5  3  o 2  2.18794      0.393432    535.621   50.9897      238.792   -129.01      334.884   -129.01      
1 1 1 -35 5  4  o 8  6.02711      0.68394     434.333   2.45986      236.347   2.45986      56.29     -177.54      
1 1 1 -35 5  5  o 4  1.21291      0.286765    800.955   -52.724      495.015   127.276      568.654   127.276      
1 1 1 -35 5  6  o 10 7.50686      0.524199    506.242   175.644      446.646   175.644      20.513    175.644      
1 1 1 -35 5  7  o 3  19.7769      0.853148    1340.92   -10.2224     831.678   -10.2224     122.411   169.778      
1 1 1 -35 5  8  o 9  5.88502      0.549964    1496.66   152.85       163.211   -27.1503     686.591   -27.1503     
1 1 1 -35 5  9  o 12 50.4679      2.07726     1820.74   161.735      2113.28   161.735      310.219   161.735      
1 1 1 -35 5  10 o 6  25.3736      1.15416     1508.75   -38.9565     1280.28   -38.9565     8.00297   -38.9565     
1 1 1 -35 5  11 o 16 59.0359      2.54391     2732.79   -120.218     1772.15   -120.218     290.544   59.7817      
1 1 1 -35 5  12 o 7  5.21106      0.826579    169.836   -0.867797    39.531    -0.867797    55.3681   179.132      
1 1 1 -35 5  13 o 14 58.8928      2.25729     1414.24   30.0422      2758.42   30.0422      741.265   30.0422      
1 1 1 -35 5  14 o 17 14.1201      0.808028    492.693   -26.91       1042.49   -26.91       297.497   -26.91       
1 1 1 -35 5  15 o 9  4.86476      0.487686    516.925   -133.104     28.5391   -133.104     219.652   46.8957      
1 1 1 -35 5  16 o 17 23.843       1.1006      760.537   -10.5689     1789.05   -10.5689     551.397   -10.5689     
1 1 1 -35 5  17 o 2  13.757       0.829138    425.211   -80.35       1257.7    -80.35       435.599   -80.35       
1 1 1 -35 5  18 o 17 3.40541      0.412371    481.63    -138.874     315.413   -138.874     63.2904   41.1261      
1 1 1 -35 5  19 o 10 1.63085      0.516007    370.966   -94.1004     83.9647   -94.1004     125.207   85.8996      
1 1 1 -35 5  20 o 14 5.59923      0.491837    343.739   158.896      ?         ?            ?         ?            
1 1 1 -35 5  21 o 10 3.49895      0.575808    513.294   53.2638      ?         ?            ?         ?            
1 1 1 -35 5  22 o 4  1.28646      0.371603    118.799   -148.535     ?         ?            ?         ?            
1 1 1 -35 7  1  f 0  4.53741      0.50762     682.494   -162.763     34.2682   17.237       295.642   17.237       
1 1 1 -35 7  2  o 17 2.60678      0.362445    928.896   -134.317     ?         ?            ?         ?            
1 1 1 -35 7  3  o 3  18.8836      1.26168     875.949   -158.587     1242.59   -158.587     263.665   -158.587     
1 1 1 -35 7  4  o 1  26.6497      1.64712     2039.34   -154.127     552.681   -154.127     559.536   25.8726      
1 1 1 -35 7  5  o 4  24.1359      1.25098     1348.16   -67.2497     1329.51   -67.2497     108.334   -67.2497     
1 1 1 -35 7  6  o 4  22.9412      1.41614     1354.58   -30.928      904.736   -30.928      112.613   149.072      
1 1 1 -35 7  7  o 12 24.226       1.06246     1042.8    -110.429     1352.13   -110.429     234.817   -110.429     
1 1 1 -35 7  8  o 13 4.04408      0.508154    277.646   65.5922      54.313    -114.408     146.748   -114.408     
1 1 1 -35 7  9  o 1  26.401       1.26905     1294.64   144.508      1409.3    144.508      136.109   144.508      
1 1 1 -35 7  10 o 2  10.0565      0.719323    747.353   -91.1098     524.069   -91.1098     72.012    88.8902      
1 1 1 -35 7  11 o 15 2.09249      0.335202    223.54    -10.5818     ?         ?            ?         ?            
1 1 1 -35 7  12 o 5  2.2507       0.374122    565.17    75.7187      177.026   -104.281     345.175   -104.281     
1 1 1 -35 7  13 o 7  7.84345      0.59436     595.446   92.2237      348.699   92.2237      95.247    -87.7763     
1 1 1 -35 7  14 o 14 4.1495       0.507993    314.752   29.3286      190.942   29.3286      46.5309   -150.671     
1 1 1 -35 7  15 o 12 2.35426      0.636997    230.795   -77.7015     11.7212   -77.7015     98.6335   102.298      
1 1 1 -35 7  16 o 17 1.20724      0.425486    527.342   -167.881     275.266   12.119       378.862   12.119       
1 1 1 -35 7  17 o 6  1.48592      0.376612    366.206   -173.096     5.71623   -173.096     164.724   6.90354      
1 1 1 -35 7  18 o 16 5.9568       0.594622    353.581   -47.9466     ?         ?            ?         ?            
1 1 1 -35 7  19 o 6  0.168727     0.266702    244.015   -122.325     ?         ?            ?         ?            
1 1 1 -35 7  20 o 10 3.2333       0.438839    533.287   85.2264      ?         ?            ?         ?            
1 1 1 -35 7  21 o 14 2.34093      0.402058    627.891   129.486      ?         ?            ?         ?            
1 1 1 -35 9  1  o 18 14.8091      0.913589    1242.8    98.6653      209.595   98.6653      448.631   -81.3347     
1 1 1 -35 9  2  o 17 14.6805      0.838212    1328.25   -114.687     699.579   -114.687     241.192   65.3131      
1 1 1 -35 9  3  f 0  9.91214      0.706404    379.363   -164.613     413.303   -164.613     37.6421   -164.613     
1 1 1 -35 9  4  o 19 25.3985      1.42394     1568.99   -160.386     1142.88   -160.386     129.808   19.6145      
1 1 1 -35 9  5  o 19 2.0437       0.428103    308.914   67.6773      158.817   -112.323     218.111   -112.323     
1 1 1 -35 9  6  o 19 27.5011      1.35265     528.744   62.6803      1770.2    62.6803      646.502   62.6803      
1 1 1 -35 9  7  o 11 27.2123      1.48848     1333.39   156.678      1484.97   156.678      138.259   156.678      
1 1 1 -35 9  8  o 1  32.4654      1.42204     1791.71   -155.514     1321.79   -155.514     152.712   24.4862      
1 1 1 -35 9  9  o 10 25.4217      1.00721     895.878   18.1538      1730.65   18.1538      458.811   18.1538      
1 1 1 -35 9  10 o 1  20.0142      1.00964     989.828   -57.8242     1377.24   -57.8242     240.799   -57.8242     
1 1 1 -35 9  11 o 10 25.5474      1.33256     1582.45   -127.19      1234.47   -127.19      96.7921   52.8098      
1 1 1 -35 9  12 o 10 7.97232      0.730714    533.359   -162.406     706.176   -162.406     112.137   -162.406     
1 1 1 -35 9  13 f 0  0.877371     0.453607    325.467   39.3188      175.536   -140.681     235.82    -140.681     
1 1 1 -35 9  14 o 6  5.13263      0.55605     427.309   159.431      555.2     159.431      81.6658   159.431      
1 1 1 -35 9  15 o 11 1.65385      0.400893    308.485   74.2445      39.2937   74.2445      121.157   -105.756     
1 1 1 -35 9  16 o 3  1.47085      0.383587    250.451   -126.529     80.7287   -126.529     70.3025   53.4713      
1 1 1 -35 9  17 o 10 1.7752       0.377367    524.458   -120.306     ?         ?            ?         ?            
1 1 1 -35 9  18 o 2  3.00872      0.528252    231.702   101.008      ?         ?            ?         ?            
1 1 1 -35 9  19 o 18 -0.330226    0.404692    110.581   -15.4557     ?         ?            ?         ?            
1 1 1 -35 9  20 o 17 0.895601     0.353857    320.11    -176.121     ?         ?            ?         ?            
1 1 1 -35 11 1  o 2  8.25583      0.741971    1208.72   100.388      311.527   100.388      389.954   -79.6125     
1 1 1 -35 11 2  f 0  3.16445      0.458723    379.959   -157.577     12.399    -157.577     165.365   22.4234      
1 1 1 -35 11 3  o 15 1.02869      0.354379    456.678   17.5766      360.889   -162.423     386.616   -162.423     
1 1 1 -35 11 4  o 13 3.69805      0.513743    243.289   -167.289     107.028   -167.289     56.2802   12.7108      
1 1 1 -35 11 5  o 12 3.4618       0.465398    364.912   -78.6319     103.912   -78.6319     112.671   101.368      
1 1 1 -35 11 6  o 4  14.3773      1.03364     1005.35   58.3607      1016.64   58.3607      54.6971   58.3607      
1 1 1 -35 11 7  o 12 2.18098      0.516708    787.032   9.1038       139.243   -170.896     425.205   -170.896     
1 1 1 -35 11 8  o 19 4.8146       0.590454    766.772   -160.831     312.243   -160.831     191.409   19.1687      
1 1 1 -35 11 9  o 18 3.8469       0.51794     787.665   -146.269     185.109   -146.269     266.28    33.7306      
1 1 1 -35 11 10 o 11 1.15719      0.452595    433.176   -8.20906     187.943   171.791      292.395   171.791      
1 1 1 -35 11 11 f 0  0.360192     0.349674    238.92    -75.5372     167.429   104.463      193.299   104.463      
1 1 1 -35 11 12 o 4  0.61149      0.330439    317.173   -18.3411     155.868   161.659      221.932   161.659      
1 1 1 -35 11 13 o 19 2.34827      0.407754    725.586   -43.4113     39.7806   -43.4113     300.247   136.589      
1 1 1 -35 11 14 o 10 0.634655     0.363414    227.863   -97.5505     77.4007   82.4495      134.787   82.4495      
1 1 1 -35 11 15 o 9  0.712996     0.404472    215.746   132.782      ?         ?            ?         ?            
1 1 1 -35 11 16 f 0  0.135406     0.329281    91.5217   9.31811      ?         ?            ?         ?            
1 1 1 -35 11 17 o 11 0.288525     0.448327    104.726   108.575      ?         ?            ?         ?            
1 1 1 -35 13 1  o 15 1.16951      0.385876    35.4344   -151.923     11.0982   28.0769      21.7477   28.0769      
1 1 1 -35 13 2  o 5  2.66554      0.477345    270.857   72.504       187.215   72.504       30.2633   -107.496     
1 1 1 -35 13 3  o 19 1.12131      0.465164    402.269   25.5155      141.092   -154.485     254.399   -154.485     
1 1 1 -35 13 4  o 4  0.328111     0.390495    403.99    -154.306     253.316   25.6944      310.936   25.6944      
1 1 1 -35 13 5  o 8  -0.0918064   0.306885    255.988   74.666       216.466   -105.334     224.524   -105.334     
1 1 1 -35 13 6  o 4  -0.184417    0.336473    393.391   38.6564      ?         ?            ?         ?            
1 1 1 -35 13 7  o 15 2.11224      0.559712    422.696   -5.31984     184.013   -5.31984     96.1721   174.68       
1 1 1 -35 13 8  o 16 1.18516      0.47739     283.765   154.604      30.6614   154.604      108.576   -25.3964     
1 1 1 -35 13 9  o 3  4.55856      0.517959    321.974   176.504      644.066   176.504      185.079   176.504      
1 1 1 -35 13 10 o 12 3.02534      0.480228    383.106   -174.275     459.414   -174.275     71.5951   -174.275     
1 1 1 -35 13 11 o 8  1.18206      0.402016    200.28    -159.51      ?         ?            ?         ?            
1 1 1 -35 13 12 o 3  0.521368     0.328018    183.682   74.5766      ?         ?            ?         ?            
1 1 1 -35 13 13 o 4  1.28159      0.386072    130.551   13.6535      ?         ?            ?         ?            
1 1 1 -35 13 14 o 12 0.568162     0.319994    96.6841   -164.163     ?         ?            ?         ?            
1 1 1 -35 15 1  o 4  1.20572      0.532906    278.579   85.9578      127.678   85.9578      45.5197   -94.0422     
1 1 1 -35 15 2  o 3  0.659943     0.386223    339.759   127.19       39.5497   -52.8102     153.218   -52.8102     
1 1 1 -35 15 3  o 15 0.917057     0.41189     400.569   -172.5       40.4275   -172.5       136.99    7.50023      
1 1 1 -35 15 4  o 3  0.81281      0.405167    373.076   -33.1821     17.128    -33.1821     137.545   146.818      
1 1 1 -35 15 5  o 4  0.668365     0.445326    161.591   40.0073      24.9313   40.0073      50.5927   -139.993     
1 1 1 -35 15 6  o 12 0.861475     0.359589    327.646   56.4259      ?         ?            ?         ?            
1 1 1 -35 15 7  o 19 0.309527     0.354669    405.154   140.68       ?         ?            ?         ?            
1 1 1 -35 15 8  o 1  1.54748      0.481792    257.068   25.9124      ?         ?            ?         ?            
1 1 1 -35 15 9  o 5  -0.0374845   0.321217    64.5814   124.421      ?         ?            ?         ?            
1 1 1 -34 0  1  o 7  1.92764      0.430887    1018.18   0            495.5     180          676.622   180          
1 1 1 -34 0  2  o 2  19.4736      2.09959     601.721   0            1300.95   0            396.913   0            
1 1 1 -34 0  3  o 6  33.5897      2.5928      1566.35   0            1638.69   0            159.847   0            
1 1 1 -34 0  4  f 0  141.878      6.65485     2156.7    180          4786.41   180          1487.19   180          
1 1 1 -34 0  5  o 16 6.15124      0.587164    594.111   0            220.088   0            138.539   180          
1 1 1 -34 0  6  o 9  4.58808      0.576649    1107.33   180          ?         ?            ?         ?            
1 1 1 -34 0  7  o 12 20.28        1.78935     748.524   180          352.84    180          132.098   2.57587e-14  
1 1 1 -34 0  8  o 15 1.68431      0.541009    570.778   180          223.83    7.57408e-15  344.635   2.45957e-15  
1 1 1 -34 0  9  o 11 17.018       1.47101     226.515   0            699.185   0            258.226   0            
1 1 1 -34 0  10 o 1  0.828001     0.42106     565.824   180          ?         ?            ?         ?            
1 1 1 -34 0  11 o 14 23.269       2.07346     753.146   180          1906.18   180          650.275   180          
1 1 1 -34 0  12 o 9  89.8855      3.73745     2595.77   0            2990.86   0            433.375   0            
1 1 1 -34 0  13 o 6  2.0092       0.451717    491.201   0            285.064   180          349.803   180          
1 1 1 -34 0  14 o 19 70.418       3.31902     850.405   180          3905.13   180          1580.57   180          
1 1 1 -34 0  15 o 6  4.46624      0.54051     132.486   180          30.7886   180          44.1888   1.19056e-14  
1 1 1 -34 0  16 o 10 2.22869      0.764931    236.708   0            77.1679   180          146.08    180          
1 1 1 -34 0  17 o 18 52.993       2.51529     1513.09   0            2673.93   0            652.779   0            
1 1 1 -34 0  18 o 18 74.5653      3.7366      1106.21   180          3798.36   180          1399.66   180          
1 1 1 -34 0  19 o 3  2.57242      0.530708    177.317   180          100.74    180          30.6042   3.01136e-14  
1 1 1 -34 0  20 o 17 21.7538      1.34435     913.008   180          1695.33   180          430.131   180          
1 1 1 -34 0  21 o 17 8.942        0.939066    915.815   180          ?         ?            ?         ?            
1 1 1 -34 0  22 o 13 8.38234      0.84768     348.718   180          ?         ?            ?         ?            
1 1 1 -34 0  23 o 14 0.617628     0.862794    68.6036   0            ?         ?            ?         ?            
1 1 1 -34 0  24 < 11 -1.90827     0.314188    ?         ?            ?         ?            ?         ?            
1 1 1 -34 2  1  f 0  59.0859      2.69847     1814.93   -41.0632     2176.83   -41.0632     328.056   -41.0632     
1 1 1 -34 2  2  o 5  41.8515      1.93944     1754      -176.889     1942.09   -176.889     235.826   -176.889     
1 1 1 -34 2  3  o 15 2.03593      0.397765    502.9     -75.0149     ?         ?            ?         ?            
1 1 1 -34 2  4  f 0  30.7704      1.53401     1756.36   13.9301      1378.23   13.9301      44.367    -166.07      
1 1 1 -34 2  5  o 12 5.969        0.599756    602.677   126.807      180.337   126.807      160.354   -53.1925     
1 1 1 -34 2  6  o 18 10.6096      0.69665     1659.37   -144.998     172.94    -144.998     598.576   35.0016      
1 1 1 -34 2  7  o 12 11.0365      0.842323    635.062   144.679      173.093   144.679      173.276   -35.3208     
1 1 1 -34 2  8  o 14 30.6087      1.40947     1278.12   -153.428     1817.12   -153.428     390.877   -153.428     
1 1 1 -34 2  9  o 15 13.1112      0.757083    854.675   30.1513      919.326   30.1513      116.38    30.1513      
1 1 1 -34 2  10 o 13 8.51577      0.652305    975.085   15.7298      354.44    15.7298      213.521   -164.27      
1 1 1 -34 2  11 o 5  5.0651       0.444949    666.66    -34.7066     128.864   -34.7066     205.038   145.293      
1 1 1 -34 2  12 o 17 23.3034      1.01418     945.636   -131.099     1345.62   -131.099     281.973   -131.099     
1 1 1 -34 2  13 o 1  5.21575      0.60469     841.186   -53.8715     586.556   126.129      652.589   126.129      
1 1 1 -34 2  14 o 16 22.6108      1.02651     1796.11   -84.3125     757.966   -84.3125     414.692   95.6875      
1 1 1 -34 2  15 o 3  49.9352      1.83896     1951.75   -23.6735     1964.39   -23.6735     100.218   -23.6735     
1 1 1 -34 2  16 o 17 7.49519      0.551799    541.891   -12.2809     469.965   -12.2809     11.0223   167.719      
1 1 1 -34 2  17 o 7  60.8737      2.1455      1714.37   -15.6818     2679.22   -15.6818     565.458   -15.6818     
1 1 1 -34 2  18 f 0  4.45484      0.508621    386.397   158.835      243.467   158.835      53.0457   -21.1646     
1 1 1 -34 2  19 o 3  0.496747     0.310269    362.967   -107.83      265.534   72.1701      298.958   72.1701      
1 1 1 -34 2  20 o 9  26.8517      1.21448     831.772   -93.7553     1989.02   -93.7553     616.021   -93.7553     
1 1 1 -34 2  21 o 15 11.0394      0.900678    317.727   129.951      ?         ?            ?         ?            
1 1 1 -34 2  22 o 13 1.89205      0.435424    260.116   -111.336     ?         ?            ?         ?            
1 1 1 -34 2  23 f 0  1.01401      0.359912    154.346   -109.729     ?         ?            ?         ?            
1 1 1 -34 4  1  o 13 2.5243       0.671484    478.557   -26.5546     380.031   153.445      386.366   153.445      
1 1 1 -34 4  2  o 1  152.545      4.78829     3209.57   -165.864     4151.18   -165.864     757.841   -165.864     
1 1 1 -34 4  3  o 15 18.3001      1.03594     1043.35   -13.268      946.439   -13.268      45.4004   -13.268      
1 1 1 -34 4  4  o 17 57.0047      1.99123     2132.3    -33.2161     2213.51   -33.2161     235.188   -33.2161     
1 1 1 -34 4  5  o 7  17.0578      0.841654    1294.44   152.344      1006.06   152.344      23.488    -27.6565     
1 1 1 -34 4  6  o 12 9.20576      0.616228    1114.5    -83.1523     329.247   -83.1523     285.983   96.8477      
1 1 1 -34 4  7  o 2  18.7544      0.878869    491.767   86.8617      1216.95   86.8617      410.8     86.8617      
1 1 1 -34 4  8  o 18 41.4772      1.52716     1264.42   -142.744     2200.71   -142.744     593.768   -142.744     
1 1 1 -34 4  9  o 7  2.84604      0.427131    756.536   115.122      231.654   -64.8783     419.696   -64.8783     
1 1 1 -34 4  10 o 14 77.9051      2.74395     2681.41   135.895      2036.17   135.895      71.5234   -44.1054     
1 1 1 -34 4  11 o 3  12.6531      1.03614     837.058   -57.038      805.528   -57.038      54.9796   -57.038      
1 1 1 -34 4  12 o 2  34.8516      1.47348     1741.37   179.862      1546.59   179.862      27.5426   179.862      
1 1 1 -34 4  13 o 12 36.9925      1.77704     682.745   159.976      2272.78   159.976      834.832   159.976      
1 1 1 -34 4  14 o 18 4.3277       0.463121    184.418   -7.39206     41.0837   -7.39206     62.6868   172.608      
1 1 1 -34 4  15 o 12 3.12095      0.394931    744.466   116.14       92.581    -63.8597     384.364   -63.8597     
1 1 1 -34 4  16 o 1  7.31609      0.54877     946.812   53.9543      416.766   53.9543      219.635   -126.046     
1 1 1 -34 4  17 o 13 2.78846      0.464128    468.408   -69.7294     36.2793   -69.7294     193.349   110.271      
1 1 1 -34 4  18 o 10 9.12269      0.699717    380.104   57.8772      937.661   57.8772      295.435   57.8772      
1 1 1 -34 4  19 o 18 1.43067      0.340224    400.667   36.0345      1.88203   -143.965     184.527   -143.965     
1 1 1 -34 4  20 o 6  1.26132      0.425304    292.061   136.232      ?         ?            ?         ?            
1 1 1 -34 4  21 o 16 3.32198      0.553425    188.981   65.6776      ?         ?            ?         ?            
1 1 1 -34 4  22 o 13 8.25784      0.576775    271.933   115.774      ?         ?            ?         ?            
1 1 1 -34 4  23 o 16 0.862414     0.378439    172.207   34.0056      ?         ?            ?         ?            
1 1 1 -34 6  1  o 9  7.04693      0.791577    1030.19   29.684       310.969   29.684       257.234   -150.316     
1 1 1 -34 6  2  o 17 36.9189      1.3004      1757.99   -168.554     1793.16   -168.554     192.263   -168.554     
1 1 1 -34 6  3  o 13 28.6665      1.36447     1593.53   170.099      1493.88   170.099      108.544   170.099      
1 1 1 -34 6  4  o 17 4.81965      0.524125    1616.37   41.6958      ?         ?            ?         ?            
1 1 1 -34 6  5  o 10 9.08638      0.581079    394.618   136.807      523.755   136.807      103.567   136.807      
1 1 1 -34 6  6  o 17 8.03772      0.541817    725.338   -95.7227     410.366   -95.7227     86.8411   84.2773      
1 1 1 -34 6  7  o 10 4.20116      0.478711    396.976   -70.3714     36.1454   109.629      179.109   109.629      
1 1 1 -34 6  8  o 5  5.40626      0.580062    499.914   157.175      389.223   -22.8252     400.082   -22.8252     
1 1 1 -34 6  9  o 17 19.8035      0.949076    700.791   -158.707     893.778   -158.707     153.228   -158.707     
1 1 1 -34 6  10 o 7  14.9725      0.914847    1013.92   117.992      910.853   117.992      20.1017   117.992      
1 1 1 -34 6  11 o 5  14.8033      0.880396    1508.38   -157.167     585.271   -157.167     371.569   22.833       
1 1 1 -34 6  12 o 18 14.0557      0.748548    923.708   -57.8636     575.625   -57.8636     127.262   122.136      
1 1 1 -34 6  13 o 17 15.7749      0.806176    606.973   120.058      1140.66   120.058      294.874   120.058      
1 1 1 -34 6  14 o 5  6.24065      0.637637    486.706   -127.482     246.512   -127.482     97.412    52.518       
1 1 1 -34 6  15 o 11 10.7815      0.780265    972.56    -79.8065     506.044   -79.8065     185.901   100.193      
1 1 1 -34 6  16 o 15 3.6594       0.633528    81.2607   33.6642      66.3745   33.6642      3.57526   -146.336     
1 1 1 -34 6  17 o 13 5.57159      0.570111    376.12    -8.80642     509.318   -8.80642     82.6353   -8.80642     
1 1 1 -34 6  18 o 12 0.610795     0.289745    139.087   150.046      87.4798   -29.9545     107.34    -29.9545     
1 1 1 -34 6  19 o 10 9.52212      0.665995    344.994   -109.027     ?         ?            ?         ?            
1 1 1 -34 6  20 o 15 1.26417      0.354979    384.463   -116.654     ?         ?            ?         ?            
1 1 1 -34 6  21 o 19 2.72559      0.5396      257.696   111.519      ?         ?            ?         ?            
1 1 1 -34 6  22 o 18 1.40238      0.338629    176.827   174.186      ?         ?            ?         ?            
1 1 1 -34 8  1  o 19 14.7452      0.946787    877.052   -112.747     945.739   -112.747     103.619   -112.747     
1 1 1 -34 8  2  o 5  16.4391      0.883609    715.284   141.741      1034.64   141.741      216.5     141.741      
1 1 1 -34 8  3  o 18 30.7442      1.51867     1504.94   123.925      1368.44   123.925      49.9773   123.925      
1 1 1 -34 8  4  o 6  1.91994      0.504719    268.569   69.6973      200.033   -110.303     213.801   -110.303     
1 1 1 -34 8  5  o 16 42.4008      1.69325     1781.05   -177.981     1765.52   -177.981     121.746   -177.981     
1 1 1 -34 8  6  o 1  8.26122      0.822564    88.2591   81.9769      19.1125   81.9769      28.59     -98.0231     
1 1 1 -34 8  7  o 18 31.5292      1.27586     1449.6    55.7783      1521.74   55.7783      125.74    55.7783      
1 1 1 -34 8  8  o 11 6.2587       0.518248    788.792   113.563      199.341   113.563      250.873   -66.4369     
1 1 1 -34 8  9  o 1  5.7294       0.497362    890.871   -163.096     108.649   -163.096     346.472   16.9037      
1 1 1 -34 8  10 o 16 5.50634      0.57639     237.361   46.2279      104.945   46.2279      55.1373   -133.772     
1 1 1 -34 8  11 o 15 4.40661      0.447802    737.583   147.37       31.072    147.37       319.364   -32.6298     
1 1 1 -34 8  12 o 5  2.79367      0.463227    760.148   147.882      476.729   -32.1177     582.382   -32.1177     
1 1 1 -34 8  13 o 6  8.96811      0.758391    303.248   101.83       609.594   101.83       167.986   101.83       
1 1 1 -34 8  14 o 11 4.85354      0.608426    517.624   178.869      405.183   178.869      31.6439   -1.13126     
1 1 1 -34 8  15 o 15 3.36504      0.428061    373.373   -136.588     271.968   -136.588     34.5944   43.4118      
1 1 1 -34 8  16 o 7  3.04052      0.529778    458.778   47.8319      224.847   47.832       97.9146   -132.168     
1 1 1 -34 8  17 o 16 1.69241      0.485461    494.259   29.2408      77.6756   29.2408      182.37    -150.759     
1 1 1 -34 8  18 o 1  4.41967      0.619293    347.017   159.71       ?         ?            ?         ?            
1 1 1 -34 8  19 o 19 0.738866     0.343351    251.765   -119.767     ?         ?            ?         ?            
1 1 1 -34 8  20 o 2  0.474107     0.328817    166.348   -8.31381     ?         ?            ?         ?            
1 1 1 -34 8  21 o 16 1.06556      0.403124    344.05    -152.79      ?         ?            ?         ?            
1 1 1 -34 10 1  o 11 12.6647      0.645989    451.577   -149.823     654.317   -149.823     122.281   -149.823     
1 1 1 -34 10 2  o 4  25.67        1.27885     1513.13   64.6849      1266.48   64.685       53.154    -115.315     
1 1 1 -34 10 3  o 4  21.7559      1.29341     770.526   -70.9217     1487.62   -70.9217     394.181   -70.9217     
1 1 1 -34 10 4  o 9  16.999       0.911236    1109.15   23.3644      1014.72   23.3644      3.82494   23.3644      
1 1 1 -34 10 5  o 14 2.17423      0.463431    366.394   166.742      225.378   -13.2584     279.081   -13.2584     
1 1 1 -34 10 6  o 15 4.4493       0.477436    481.268   17.9309      166.752   17.9309      135.098   -162.069     
1 1 1 -34 10 7  o 9  1.78983      0.433405    187.602   134.176      64.1244   -45.8235     117.1     -45.8235     
1 1 1 -34 10 8  o 11 3.98968      0.509015    494.815   -38.0538     80.9839   141.946      264.263   141.946      
1 1 1 -34 10 9  f 0  2.48712      0.6246      881.033   72.097       514.39    -107.903     654.792   -107.903     
1 1 1 -34 10 10 o 10 23.4717      1.24009     1200.76   71.4366      1465.08   71.4366      190.587   71.4366      
1 1 1 -34 10 11 o 12 14.8468      0.851743    739.692   10.9127      1266.28   10.9127      297.888   10.9127      
1 1 1 -34 10 12 o 9  7.4146       0.736903    466.2     -78.0854     736.796   -78.0854     155.5     -78.0854     
1 1 1 -34 10 13 o 2  2.56027      0.474585    584.41    -177.685     118.341   -177.685     208.999   2.31469      
1 1 1 -34 10 14 o 1  1.00328      0.361079    193.028   -75.8447     28.8236   104.155      102.121   104.155      
1 1 1 -34 10 15 o 18 6.70614      0.609341    631.966   -117.716     752.54    -117.716     99.0072   -117.716     
1 1 1 -34 10 16 o 16 2.13441      0.404456    608.784   -108.472     ?         ?            ?         ?            
1 1 1 -34 10 17 o 15 0.487518     0.306708    257.307   71.8362      ?         ?            ?         ?            
1 1 1 -34 10 18 o 19 0.198809     0.317804    415.069   51.169       ?         ?            ?         ?            
1 1 1 -34 10 19 o 17 0.022303     0.265387    310.892   16.0869      ?         ?            ?         ?            
1 1 1 -34 12 1  o 5  1.47458      0.397022    245.382   -107.058     103.815   72.9418      163.16    72.9418      
1 1 1 -34 12 2  o 14 2.4094       0.440417    45.7821   -146.576     25.9371   33.4242      33.7205   33.4242      
1 1 1 -34 12 3  o 12 4.49224      0.560771    617.89    -137.364     297.737   -137.364     131.338   42.6355      
1 1 1 -34 12 4  o 10 2.99322      0.505359    737.275   -34.3489     100.896   145.651      385.208   145.651      
1 1 1 -34 12 5  o 17 0.431885     0.470969    191.31    -22.1722     164.809   157.828      169.452   157.828      
1 1 1 -34 12 6  o 16 1.58746      0.467095    544.675   178.754      102.189   -1.246       299.66    -1.246       
1 1 1 -34 12 7  o 1  4.13458      0.509814    289.905   41.7395      325.114   41.7395      29.8213   41.7395      
1 1 1 -34 12 8  o 10 1.90697      0.433799    537.337   -40.4239     12.3178   -40.4239     240.395   139.576      
1 1 1 -34 12 9  o 15 0.12497      0.413505    436.531   -4.15271     333.184   175.847      366.497   175.847      
1 1 1 -34 12 10 o 5  3.19235      0.491863    397.908   119.711      331.768   119.711      14.4292   -60.2893     
1 1 1 -34 12 11 o 7  1.33037      0.400156    266.693   158.166      40.0856   158.166      98.0148   -21.8341     
1 1 1 -34 12 12 o 8  0.8692       0.337543    161.874   -85.0474     35.828    94.9526      86.9912   94.9526      
1 1 1 -34 12 13 o 4  3.12831      0.42489     631.235   49.5574      ?         ?            ?         ?            
1 1 1 -34 12 14 f 0  1.78287      0.378165    567.9     17.9411      ?         ?            ?         ?            
1 1 1 -34 12 15 o 12 0.141012     0.35703     292.927   -40.4234     ?         ?            ?         ?            
1 1 1 -34 12 16 o 6  0.454754     0.396225    399.498   -178.298     ?         ?            ?         ?            
1 1 1 -34 14 1  o 16 2.16848      0.572688    491.742   158.697      181.744   158.697      120.279   -21.3029     
1 1 1 -34 14 2  o 4  1.20696      0.390508    291.155   -106.676     47.9376   -106.676     101.222   73.3243      
1 1 1 -34 14 3  o 5  2.72893      0.432238    647.537   -110.781     215.821   -110.781     169.778   69.2188      
1 1 1 -34 14 4  o 19 2.58587      0.453151    287.583   41.0795      326.978   41.0795      40.9916   41.0795      
1 1 1 -34 14 5  o 3  1.25711      0.417718    477.838   31.3656      30.3523   -148.634     216.519   -148.634     
1 1 1 -34 14 6  o 12 -0.0477814   0.305508    342.453   -102.263     269.096   77.7372      276.76    77.7372      
1 1 1 -34 14 7  o 6  1.10353      0.576546    456.274   112.057      28.1167   -67.9431     200.342   -67.9431     
1 1 1 -34 14 8  o 16 1.29999      0.388086    467.923   92.1348      106.726   92.1348      134.459   -87.8652     
1 1 1 -34 14 9  o 7  1.57347      0.413729    117.015   -36.3981     152.745   -36.3981     30.0571   -36.3981     
1 1 1 -34 14 10 o 13 0.0799312    0.295453    209.166   -149.923     ?         ?            ?         ?            
1 1 1 -34 14 11 o 8  0.158079     0.301777    225.119   59.387       ?         ?            ?         ?            
1 1 1 -34 14 12 o 11 -0.0650333   0.284841    284.51    -76.9588     ?         ?            ?         ?            
1 1 1 -34 16 1  o 15 1.40371      0.496641    34.6133   175.919      ?         ?            ?         ?            
1 1 1 -34 16 2  o 9  0.816144     0.641472    220.377   -107.967     ?         ?            ?         ?            
1 1 1 -34 16 3  o 11 1.49791      0.458738    207.464   -151.676     ?         ?            ?         ?            
1 1 1 -34 16 4  o 2  0.610864     0.465111    107.128   140.508      ?         ?            ?         ?            
1 1 1 -33 1  1  o 7  12.8817      1.22121     488.604   79.3806      630.406   79.3806      108.84    79.3806      
1 1 1 -33 1  2  o 18 11.781       1.19664     275.379   140.141      179.341   -39.8593     206.015   -39.8593     
1 1 1 -33 1  3  o 10 18.4869      1.29967     1117.81   15.0098      701.765   15.0098      120.998   -164.99      
1 1 1 -33 1  4  o 1  4.44269      0.389929    552.467   -22.6802     29.4256   157.32       247.45    157.32       
1 1 1 -33 1  5  o 3  63.3011      3.11838     1747.83   -164.063     2765.43   -164.063     649.13    -164.063     
1 1 1 -33 1  6  o 12 14.6775      0.892931    1576.12   26.5821      563.24    26.5821      376.014   -153.418     
1 1 1 -33 1  7  o 14 15.9593      0.961166    1057.31   -80.879      929.395   -80.879      27.2967   -80.879      
1 1 1 -33 1  8  o 17 6.36548      0.499212    952.834   -80.1682     200.159   99.8318      489.935   99.8318      
1 1 1 -33 1  9  o 5  2.74982      0.321735    808.845   -169.079     442.258   10.9212      548.22    10.9212      
1 1 1 -33 1  10 o 13 11.1535      0.759682    1112.46   -87.8054     323.55    92.1946      607.928   92.1946      
1 1 1 -33 1  11 o 1  41.9652      1.5767      1123.61   -69.5561     2418.55   -69.5561     758.235   -69.5561     
1 1 1 -33 1  12 o 15 39.5685      1.40265     1460.5    172.523      1719.75   172.523      264.629   172.523      
1 1 1 -33 1  13 o 7  5.46836      0.511854    956.213   143.359      482.716   -36.6409     642.825   -36.6409     
1 1 1 -33 1  14 o 7  23.6698      1.16582     335.721   48.7068      826.22    48.7068      266.902   48.7068      
1 1 1 -33 1  15 o 6  17.2447      1.0662      510.496   168.233      1143.92   168.233      342.906   168.233      
1 1 1 -33 1  16 o 9  25.074       1.13595     651.869   -7.18383     1721.61   -7.18383     564.817   -7.18383     
1 1 1 -33 1  17 o 12 11.3636      0.738264    703.882   -161.048     745.841   -161.048     54.463    -161.048     
1 1 1 -33 1  18 f 0  8.60697      0.523414    787.157   -85.8722     658.74    -85.8722     25.9366   94.1278      
1 1 1 -33 1  19 o 18 10.6083      0.698849    384.676   -108.996     953.797   -108.996     301.405   -108.996     
1 1 1 -33 1  20 o 14 6.24842      0.597198    391.672   -162.12      686.935   -162.12      164.152   -162.12      
1 1 1 -33 1  21 f 0  5.39425      0.545921    457.581   -77.7373     ?         ?            ?         ?            
1 1 1 -33 1  22 o 15 13.7026      1.04639     618.625   -171.646     ?         ?            ?         ?            
1 1 1 -33 1  23 o 11 2.8781       0.421353    375.091   146.029      ?         ?            ?         ?            
1 1 1 -33 1  24 o 18 3.80025      0.520099    242.367   104.141      ?         ?            ?         ?            
1 1 1 -33 3  1  o 9  3.01807      0.556047    550.574   -20.8188     294.651   159.181      377.405   159.181      
1 1 1 -33 3  2  o 14 6.78022      0.925631    1593.26   -20.3245     293.521   159.676      812.884   159.676      
1 1 1 -33 3  3  o 3  35.5299      1.7495      1774.36   102.645      1656.69   102.645      87.3796   102.645      
1 1 1 -33 3  4  o 15 10.0189      0.650521    684.422   151.546      475.246   151.546      47.3462   -28.4539     
1 1 1 -33 3  5  o 13 35.5066      1.40836     2153.76   -52.1426     1245.43   -52.1426     269.596   127.857      
1 1 1 -33 3  6  o 15 52.9194      1.69581     2077.19   122.9        1902.63   122.9        96.8546   122.9        
1 1 1 -33 3  7  o 19 1.73539      0.321669    667.858   119.868      415.325   -60.1317     479.929   -60.1317     
1 1 1 -33 3  8  o 9  1.72982      0.269715    289.104   -119.493     ?         ?            ?         ?            
1 1 1 -33 3  9  o 17 26.5411      1.24768     1431.67   -32.6298     1440.43   -32.6298     146.023   -32.6298     
1 1 1 -33 3  10 o 13 11.4078      0.893752    901.793   -58.8132     589.685   -58.8132     66.8779   121.187      
1 1 1 -33 3  11 o 9  56.9543      2.26306     1792.05   109.509      2555.25   109.509      550.44    109.509      
1 1 1 -33 3  12 o 1  10.8054      0.894159    1084.2    63.3355      443.812   63.3355      229.043   -116.664     
1 1 1 -33 3  13 o 11 9.39297      0.899389    245.922   -154.628     227.287   -154.628     7.85579   -154.628     
1 1 1 -33 3  14 o 6  10.5311      0.661492    262.172   -167.236     243.767   -167.236     5.40779   -167.236     
1 1 1 -33 3  15 o 14 0.877078     0.286909    436.15    155.151      320.417   -24.8495     357.712   -24.8495     
1 1 1 -33 3  16 o 15 23.196       1.11387     729.806   -19.3601     1678.8    -19.3601     508.295   -19.3601     
1 1 1 -33 3  17 o 11 18.3891      0.863768    752.832   49.7496      1416.72   49.7496      368.614   49.7496      
1 1 1 -33 3  18 o 3  1.89425      0.359952    304.736   76.6853      53.8038   -103.315     164.954   -103.315     
1 1 1 -33 3  19 o 7  10.6893      0.836501    660.312   -114.983     1021.58   -114.983     208.06    -114.983     
1 1 1 -33 3  20 o 5  2.97795      0.563496    695.336   -13.1701     128.932   -13.1701     250.418   166.83       
1 1 1 -33 3  21 o 2  10.5188      0.694356    681.217   -92.1168     ?         ?            ?         ?            
1 1 1 -33 3  22 o 16 1.66889      0.367066    381.288   102.494      ?         ?            ?         ?            
1 1 1 -33 3  23 o 16 0.801885     0.381069    254.373   -92.7643     ?         ?            ?         ?            
1 1 1 -33 5  1  o 7  24.692       1.4157      1117.02   64.3135      1597.54   64.3135      345.03    64.3135      
1 1 1 -33 5  2  o 8  36.7307      1.66577     1596.18   40.4425      1582.29   40.4425      142.444   40.4425      
1 1 1 -33 5  3  o 14 2.11411      0.454371    769.92    -27.5651     329.215   152.435      477.126   152.435      
1 1 1 -33 5  4  o 5  24.8303      0.995896    1970.53   113.804      915.297   113.804      339.976   -66.1962     
1 1 1 -33 5  5  o 18 4.45521      0.394765    818.873   -159.438     104.452   20.5618      382.399   20.5618      
1 1 1 -33 5  6  o 7  14.8017      0.699324    1248.54   -20.8758     439.102   -20.8758     281.853   159.124      
1 1 1 -33 5  7  o 3  18.7455      0.880657    1249.93   119.611      959.49    119.611      21.0289   -60.3888     
1 1 1 -33 5  8  o 11 23.4884      1.00587     1408.85   -3.4401      1163.97   -3.4401      16.5281   -3.4401      
1 1 1 -33 5  9  o 11 17.5126      0.909668    1090.32   -12.0889     732.882   -12.0889     75.046    167.911      
1 1 1 -33 5  10 o 19 39.5498      1.66968     1175.05   -114.101     2058.83   -114.101     545.037   -114.101     
1 1 1 -33 5  11 o 11 53.6593      2.23876     2533.84   92.528       1720.77   92.528       211.974   -87.472      
1 1 1 -33 5  12 o 8  14.9836      0.78173     997.085   -130.083     767.201   -130.083     51.2942   49.9166      
1 1 1 -33 5  13 o 16 50.1517      1.89297     1946.84   -96.2708     2039.68   -96.2708     148.566   -96.2708     
1 1 1 -33 5  14 o 4  6.2828       0.618099    301.917   -83.9997     126.95    -83.9997     73.4629   96.0003      
1 1 1 -33 5  15 o 2  21.2657      1.04488     1637.68   168.787      869.767   168.787      307.709   -11.2129     
1 1 1 -33 5  16 o 18 0.91774      0.295056    354.378   167.072      188.339   -12.9276     254.081   -12.9276     
1 1 1 -33 5  17 o 16 25.6123      1.20762     563.021   56.4984      2016.31   56.4984      753.166   56.4984      
1 1 1 -33 5  18 o 19 2.47687      0.424636    172.905   32.0727      92.0806   32.0727      33.178    -147.927     
1 1 1 -33 5  19 o 14 9.23394      0.965958    837.325   129.573      761.609   129.573      0.085986  -50.4268     
1 1 1 -33 5  20 o 2  2.65599      0.429703    294.542   -94.8556     ?         ?            ?         ?            
1 1 1 -33 5  21 o 14 2.38845      0.381317    352.388   -108.122     ?         ?            ?         ?            
1 1 1 -33 5  22 o 5  1.42992      0.421437    43.0129   -54.1735     ?         ?            ?         ?            
1 1 1 -33 5  23 o 16 0.432569     0.310287    336.435   151.944      ?         ?            ?         ?            
1 1 1 -33 7  1  o 1  5.8446       0.524863    562.223   101.017      18.0912   101.017      217.59    -78.9834     
1 1 1 -33 7  2  o 6  3.37329      0.484919    970.464   106.059      422.357   -73.9412     602.224   -73.9412     
1 1 1 -33 7  3  o 1  59.8935      2.50443     1903.32   10.6339      2613.02   10.6339      538.792   10.6339      
1 1 1 -33 7  4  o 13 41.8358      1.75823     2252.65   17.3155      1539.31   17.3155      141.473   -162.685     
1 1 1 -33 7  5  o 7  4.18541      0.53574     819.455   51.2642      338.076   -128.736     502.22    -128.736     
1 1 1 -33 7  6  o 18 12.8141      0.795559    457.864   -156.849     191.14    -156.849     92.2186   23.1507      
1 1 1 -33 7  7  o 6  20.0653      1.06692     1413.13   8.25887      876.06    8.25887      149.179   -171.741     
1 1 1 -33 7  8  o 2  2.13565      0.395333    220.659   -144.221     140.668   35.7794      163.664   35.7794      
1 1 1 -33 7  9  o 13 1.18578      0.304591    573.8     105.755      ?         ?            ?         ?            
1 1 1 -33 7  10 o 2  13.5453      0.737318    1211.56   153.593      478.875   153.593      295.509   -26.4067     
1 1 1 -33 7  11 o 2  0.735002     0.266858    474.524   6.21716      424.824   -173.783     425.68    -173.783     
1 1 1 -33 7  12 f 0  22.0211      1.03425     1390.15   -101.514     1138.48   -101.514     61.4283   78.4862      
1 1 1 -33 7  13 o 13 13.0249      0.820743    853.672   -120.491     895.4     -120.491     60.4125   -120.491     
1 1 1 -33 7  14 o 5  3.76087      0.429428    324.338   74.9792      106.381   74.9792      93.2884   -105.021     
1 1 1 -33 7  15 o 13 7.86734      0.883602    272.905   52.764       554.87    52.764       154.184   52.764       
1 1 1 -33 7  16 o 4  1.8496       0.449528    162.229   79.9536      21.2828   79.9536      63.2957   -100.046     
1 1 1 -33 7  17 o 13 1.24593      0.364421    357.079   -107.861     119.081   72.1387      223.365   72.1387      
1 1 1 -33 7  18 o 12 0.907186     0.391606    211.016   99.3382      36.3888   -80.6618     112.888   -80.6618     
1 1 1 -33 7  19 o 17 3.54394      0.430568    491.201   57.5077      ?         ?            ?         ?            
1 1 1 -33 7  20 o 6  7.9765       0.595847    705.673   -79.5724     ?         ?            ?         ?            
1 1 1 -33 7  21 o 12 1.54307      0.352096    257.331   -85.2471     ?         ?            ?         ?            
1 1 1 -33 9  1  o 6  26.0455      1.21318     1374.13   -114.465     1325.24   -114.465     60.388    -114.465     
1 1 1 -33 9  2  o 8  0.987529     0.304064    391.739   -40.9096     254.694   139.09       298.895   139.09       
1 1 1 -33 9  3  o 3  13.7811      0.940887    1104.54   -13.0258     760.858   -13.0258     104.215   166.974      
1 1 1 -33 9  4  o 6  41.3833      2.03401     1840.55   -9.95901     1766.37   -9.95901     71.9201   -9.95901     
1 1 1 -33 9  5  o 3  16.454       0.967425    474.358   147.904      935.923   147.904      257.491   147.904      
1 1 1 -33 9  6  f 0  11.8989      0.862893    1066.28   133.061      592.351   133.061      180.624   -46.9392     
1 1 1 -33 9  7  o 18 32.831       1.6715      1615.15   -34.7375     1548.09   -34.7375     46.3301   -34.7375     
1 1 1 -33 9  8  o 16 6.6209       0.634661    691.294   22.2829      47.8749   22.2829      289.295   -157.717     
1 1 1 -33 9  9  o 5  1.80904      0.354264    861.016   153.281      438.123   -26.7195     610.074   -26.7195     
1 1 1 -33 9  10 o 7  5.68537      0.518011    434.415   53.255       268.362   53.255       62.8022   -126.745     
1 1 1 -33 9  11 o 18 2.70754      0.493489    380.906   -26.0691     7.10559   153.931      175.668   153.931      
1 1 1 -33 9  12 o 19 2.34789      0.397228    283.58    106.939      20.9052   106.939      117.487   -73.0614     
1 1 1 -33 9  13 o 9  4.92485      0.676859    1001.71   85.1365      146.37    85.1365      380.699   -94.8635     
1 1 1 -33 9  14 o 1  6.49125      0.660157    846.507   -80.6285     489.384   -80.6285     142.351   99.3715      
1 1 1 -33 9  15 o 8  4.54843      0.530428    610.552   40.907       325.292   40.907       117.255   -139.093     
1 1 1 -33 9  16 o 12 2.23615      0.442264    739.159   98.4159      8.67386   -81.5841     335.879   -81.5841     
1 1 1 -33 9  17 o 17 0.659143     0.296008    197.763   146.814      ?         ?            ?         ?            
1 1 1 -33 9  18 o 6  1.86249      0.387221    247.915   34.7965      ?         ?            ?         ?            
1 1 1 -33 9  19 o 10 1.34645      0.438288    220.005   17.2973      ?         ?            ?         ?            
1 1 1 -33 9  20 f 0  0.163853     0.350936    289.014   -4.76776     ?         ?            ?         ?            
1 1 1 -33 11 1  o 2  6.62835      0.612828    650.067   -97.4347     219.285   -97.4347     184.55    82.5653      
1 1 1 -33 11 2  o 1  15.0648      0.873695    652.883   -166.379     1202.66   -166.379     305.826   -166.379     
1 1 1 -33 11 3  o 16 14.3042      0.778492    997.812   -6.39709     921.33    -6.39709     9.17973   -6.39709     
1 1 1 -33 11 4  o 10 6.17256      0.54268     797.463   156.522      284.137   156.522      218.511   -23.478      
1 1 1 -33 11 5  o 1  7.26338      0.732049    646.246   11.0608      543.02    11.0608      20.4044   -168.939     
1 1 1 -33 11 6  o 13 3.23488      0.462515    402.275   -88.9731     68.949    -88.9731     147.061   91.0269      
1 1 1 -33 11 7  o 13 0.549285     0.353867    353.976   -156.516     287.341   23.4837      303.366   23.4837      
1 1 1 -33 11 8  o 17 16.6105      0.975362    952.923   62.1062      1148.09   62.1062      143.537   62.1062      
1 1 1 -33 11 9  o 6  3.23903      0.5482      250.967   65.151       149.05    65.151       39.302    -114.849     
1 1 1 -33 11 10 o 1  1.32406      0.354073    251.09    -94.5539     52.544    85.4461      140.852   85.4461      
1 1 1 -33 11 11 o 6  0.935787     0.491741    422.699   136.28       156.097   -43.7205     271.935   -43.7205     
1 1 1 -33 11 12 o 15 2.21535      0.404319    391.609   138.472      155.725   138.472      101.258   -41.528      
1 1 1 -33 11 13 o 12 1.43775      0.356094    101.115   -37.2177     37.5952   -37.2177     26.5429   142.782      
1 1 1 -33 11 14 o 12 0.310806     0.308607    130.87    123.198      88.5717   -56.8019     100.625   -56.8019     
1 1 1 -33 11 15 o 1  0.656657     0.383277    103.687   -156.789     ?         ?            ?         ?            
1 1 1 -33 11 16 o 14 0.69614      0.331851    307.128   -15.8001     ?         ?            ?         ?            
1 1 1 -33 11 17 o 18 0.221059     0.28875     303.032   -97.9326     ?         ?            ?         ?            
1 1 1 -33 11 18 o 11 0.260803     0.290735    43.7512   88.0053      ?         ?            ?         ?            
1 1 1 -33 13 1  o 8  0.542408     0.354205    201.552   -105.226     122.308   74.7737      153.635   74.7737      
1 1 1 -33 13 2  o 16 1.95328      0.394303    414.261   -17.7062     48.2981   162.294      214.236   162.294      
1 1 1 -33 13 3  o 15 3.22905      0.620528    344.997   130.848      298.847   130.848      8.8659    -49.1521     
1 1 1 -33 13 4  o 4  2.27174      0.539954    487.06    80.103       106.224   80.103       170.247   -99.897      
1 1 1 -33 13 5  o 11 1.42003      0.418039    592.244   -91.5778     94.5277   88.4222      318.417   88.4222      
1 1 1 -33 13 6  o 18 0.488508     0.431282    547.434   -118.956     328.971   61.0441      414.107   61.0441      
1 1 1 -33 13 7  o 10 4.46424      0.537029    661.865   -173.061     396.644   -173.061     100.943   6.93931      
1 1 1 -33 13 8  o 11 4.52918      0.641353    381.986   75.6016      557.655   75.6016      108.702   75.6016      
1 1 1 -33 13 9  o 13 2.49337      0.393316    371.128   -13.6167     313.633   -13.6167     4.63901   166.383      
1 1 1 -33 13 10 o 5  1.56936      0.40104     454.078   18.8161      85.667    18.8161      148.68    -161.184     
1 1 1 -33 13 11 o 7  0.315156     0.347389    210.981   -121.971     146.91    58.0286      159.546   58.0286      
1 1 1 -33 13 12 o 10 -0.0475102   0.293737    179.588   58.5052      ?         ?            ?         ?            
1 1 1 -33 13 13 o 2  2.41882      0.384873    305.625   156.057      ?         ?            ?         ?            
1 1 1 -33 13 14 o 19 0.597499     0.350046    267.91    169.295      ?         ?            ?         ?            
1 1 1 -33 13 15 o 11 0.096117     0.378777    142.389   21.4126      ?         ?            ?         ?            
1 1 1 -33 15 1  o 6  1.69721      0.501357    390.87    -76.6526     237.386   -76.6526     36.2146   103.347      
1 1 1 -33 15 2  o 18 0.322946     0.356714    379.705   -14.15       142.669   165.85       221.894   165.85       
1 1 1 -33 15 3  o 12 0.914581     0.367797    188.775   -22.1037     48.5155   -22.1037     50.5014   157.896      
1 1 1 -33 15 4  o 14 1.07314      0.392761    233.54    103.392      96.1943   103.392      44.1348   -76.6076     
1 1 1 -33 15 5  o 3  0.143541     0.319341    240.57    -165.679     111.233   14.3213      150.258   14.3213      
1 1 1 -33 15 6  o 12 1.34237      0.483647    248.168   -65.8836     188.449   -65.8836     2.93385   114.116      
1 1 1 -33 15 7  o 3  0.863265     0.449556    305.876   -38.5736     ?         ?            ?         ?            
1 1 1 -33 15 8  o 1  0.712366     0.357679    298.419   167.985      ?         ?            ?         ?            
1 1 1 -33 15 9  o 6  0.34249      0.337348    138.837   -71.428      ?         ?            ?         ?            
1 1 1 -33 15 10 o 8  1.08851      0.490524    247.347   -116.338     ?         ?            ?         ?            
1 1 1 -32 0  1  o 2  2.82055      1.23102     355.563   180          ?         ?            ?         ?            
1 1 1 -32 0  2  o 3  16.601       1.62834     1045.27   0            893.325   0            3.26014   0            
1 1 1 -32 0  3  o 13 29.7413      2.17658     1585.62   180          1659.76   180          157.75    180          
1 1 1 -32 0  4  o 2  7.69427      1.10709     368.176   0            192.318   0            59.6357   180          
1 1 1 -32 0  5  o 3  2.06551      0.817299    819.696   0            ?         ?            ?         ?            
1 1 1 -32 0  6  o 16 36.5218      2.95534     1134.33   180          2378.24   180          712.975   180          
1 1 1 -32 0  7  o 15 7.09736      0.914315    1028.54   0            347.285   0            254.79    180          
1 1 1 -32 0  8  o 2  23.2075      1.61896     1549.64   0            1327.53   0            25.1907   0            
1 1 1 -32 0  9  o 1  2.34389      0.430681    36.3987   0            15.3996   180          22.5077   180          
1 1 1 -32 0  10 o 7  -0.106422    0.41918     550.486   0            ?         ?            ?         ?            
1 1 1 -32 0  11 o 5  65.9753      3.86487     2437.38   180          2481.41   180          264.089   180          
1 1 1 -32 0  12 o 11 55.3361      3.47864     2421.87   180          2176.96   180          108.315   180          
1 1 1 -32 0  13 o 4  6.02705      0.660247    58.9198   180          1.81324   1.82454e-13  25.3879   6.51557e-15  
1 1 1 -32 0  14 o 6  8.66491      0.80779     540.555   0            247.543   0            109.27    180          
1 1 1 -32 0  15 o 13 49.435       2.57122     1943.17   0            2143.35   0            205.115   0            
1 1 1 -32 0  16 o 14 18.9173      1.99673     1003.15   180          1454.53   180          272.224   180          
1 1 1 -32 0  17 o 10 2.73219      0.539869    200.149   180          3.38186   180          88.984    7.28338e-15  
1 1 1 -32 0  18 o 9  3.81255      0.73746     326.909   0            207.763   0            43.602    180          
1 1 1 -32 0  19 o 2  3.35035      0.644246    147.779   180          115.915   180          9.29288   9.45398e-14  
1 1 1 -32 0  20 o 12 0.28414      0.417661    450.145   180          ?         ?            ?         ?            
1 1 1 -32 0  21 o 17 3.74345      0.825417    807.136   0            ?         ?            ?         ?            
1 1 1 -32 0  22 o 6  35.3905      2.01244     1124.02   0            ?         ?            ?         ?            
1 1 1 -32 0  23 o 12 0.309697     0.805982    273.115   0            ?         ?            ?         ?            
1 1 1 -32 0  24 o 16 4.03311      0.807556    297       0            ?         ?            ?         ?            
1 1 1 -32 2  1  o 7  54.8612      2.41613     2183      54.4692      1980.72   54.4692      68.1184   54.4692      
1 1 1 -32 2  2  o 2  80.2954      2.88482     2122.06   -45.7069     2986.14   -45.7069     596.345   -45.7069     
1 1 1 -32 2  3  o 16 67.2701      2.58369     2245.32   172.173      2381.93   172.173      242.975   172.173      
1 1 1 -32 2  4  o 3  36.1058      1.42649     974.374   28.6717      1977.87   28.6717      578.422   28.6717      
1 1 1 -32 2  5  f 0  4.59988      0.610556    934.201   42.1877      641.662   -137.812     712.936   -137.812     
1 1 1 -32 2  6  o 8  49.7746      1.98698     2033.58   154.82       1680.78   154.82       8.07      -25.1799     
1 1 1 -32 2  7  o 5  5.49131      0.566343    375.078   142.689      175.566   142.689      67.3574   -37.3109     
1 1 1 -32 2  8  o 2  20.1222      0.947166    1257.89   48.9683      1234.28   48.9683      102.611   48.9683      
1 1 1 -32 2  9  o 15 5.20011      0.436376    647.644   -54.0981     229.614   125.902      376.631   125.902      
1 1 1 -32 2  10 o 15 8.29883      0.557723    997.855   9.16031      ?         ?            ?         ?            
1 1 1 -32 2  11 o 13 76.8655      2.52063     2650.46   -78.0605     2493.9    -78.0605     182.726   -78.0605     
1 1 1 -32 2  12 o 9  2.66825      0.36704     502.17    -71.5771     ?         ?            ?         ?            
1 1 1 -32 2  13 o 4  17.899       0.794327    1660.63   95.3949      652.173   95.3949      372.039   -84.6051     
1 1 1 -32 2  14 o 19 9.48813      0.859128    256.337   -142.662     192.121   -142.662     15.7278   37.3375      
1 1 1 -32 2  15 o 3  8.72048      0.559587    189.156   173.587      222.408   173.587      26.2601   173.587      
1 1 1 -32 2  16 o 7  41.2037      1.56574     1291.23   137.822      2169.48   137.822      498.395   137.822      
1 1 1 -32 2  17 o 16 7.55184      0.5633      321.191   166.524      477.35    166.524      93.3964   166.524      
1 1 1 -32 2  18 o 19 5.56347      0.545953    674.053   3.86148      401.025   3.86148      103.799   -176.139     
1 1 1 -32 2  19 o 14 10.2734      0.918926    1330.82   75.8728      413.933   75.8728      400.522   -104.127     
1 1 1 -32 2  20 o 3  3.33944      0.409008    437.15    -16.1967     354.675   -16.1967     22.6608   163.803      
1 1 1 -32 2  21 f 0  1.60366      0.482765    315.871   -117.807     ?         ?            ?         ?            
1 1 1 -32 2  22 o 1  12.3041      0.740919    449.743   -87.0955     ?         ?            ?         ?            
1 1 1 -32 2  23 f 0  0.690824     0.349112    278.278   40.6758      ?         ?            ?         ?            
1 1 1 -32 2  24 o 19 2.90266      0.441803    108.856   147.333      ?         ?            ?         ?            
1 1 1 -32 4  1  o 1  31.644       1.61105     1320.47   109.099      1328.35   109.099      115.812   109.099      
1 1 1 -32 4  2  o 14 37.0106      1.83069     1534.56   22.0356      1823.59   22.0356      274.253   22.0356      
1 1 1 -32 4  3  o 18 58.8691      1.99125     2414.26   -171.817     1956.2    -171.817     23.4985   8.1832       
1 1 1 -32 4  4  o 2  3.33026      0.498453    1318.63   -80.4498     470.069   99.5502      780.272   99.5502      
1 1 1 -32 4  5  o 1  15.0993      0.765447    1002.1    75.3892      993.375   75.3892      84.544    75.3892      
1 1 1 -32 4  6  o 15 22.0788      0.819728    1132.07   -133.18      826.969   -133.18      48.7597   46.8202      
1 1 1 -32 4  7  o 10 2.62029      0.334736    309.025   -179.806     ?         ?            ?         ?            
1 1 1 -32 4  8  o 13 3.31125      0.353927    566.214   105.208      21.3881   105.208      216.879   -74.7921     
1 1 1 -32 4  9  o 16 30.5294      1.16693     1196.96   89.4186      1879.29   89.4186      460.122   89.4186      
1 1 1 -32 4  10 o 19 39.918       1.4682      1583.59   46.7412      2045.09   46.7412      384.836   46.7412      
1 1 1 -32 4  11 o 13 37.0612      1.60896     2174.12   -39.7409     1222.82   -39.7409     279.05    140.259      
1 1 1 -32 4  12 o 13 16.5132      1.16275     660.344   8.68342      667.044   8.68342      55.2943   8.68342      
1 1 1 -32 4  13 o 18 10.5099      0.720433    597.643   137.81       550.921   137.81       15.0505   137.81       
1 1 1 -32 4  14 f 0  1.22016      0.329749    191.123   122.308      113.135   -57.6918     142.209   -57.6918     
1 1 1 -32 4  15 o 13 8.42496      0.648053    637.352   -22.9615     500.361   -22.9615     39.1003   157.038      
1 1 1 -32 4  16 o 7  24.1681      1.09204     1093.73   -148.101     1511.49   -148.101     260.357   -148.101     
1 1 1 -32 4  17 o 2  11.5073      0.671568    831.573   174.884      773.031   174.884      11.365    174.884      
1 1 1 -32 4  18 o 18 6.20392      0.568847    170.19    -59.0586     384.833   -59.0586     115.059   -59.0586     
1 1 1 -32 4  19 o 19 19.8078      1.13115     560.184   8.57713      1751.56   8.57713      618.73    8.57713      
1 1 1 -32 4  20 o 9  5.67457      0.476659    244.876   -61.8015     718.938   -61.8015     249.821   -61.8015     
1 1 1 -32 4  21 o 14 2.31332      0.422998    457.144   -36.0694     ?         ?            ?         ?            
1 1 1 -32 4  22 o 9  2.21143      0.38055     529.95    -114.685     ?         ?            ?         ?            
1 1 1 -32 4  23 o 18 0.595393     0.31682     297.9     -127.183     ?         ?            ?         ?            
1 1 1 -32 6  1  o 9  18.7552      1.50328     1602.33   116.534      759.212   116.534      264.562   -63.466      
1 1 1 -32 6  2  o 4  1.29145      0.340392    367.081   -162.659     ?         ?            ?         ?            
1 1 1 -32 6  3  o 14 10.0343      0.706572    227.633   -144.637     319.808   -144.637     68.4382   -144.637     
1 1 1 -32 6  4  o 7  2.22854      0.334384    613.963   -119.423     214.292   60.5767      353.493   60.5767      
1 1 1 -32 6  5  o 7  1.41318      0.26737     653.794   -86.98       388.59    93.02        456.276   93.02        
1 1 1 -32 6  6  o 18 7.72518      0.558283    945.53    156.118      317.592   156.118      220.125   -23.882      
1 1 1 -32 6  7  o 18 14.4061      0.684371    1255.02   -70.3559     654.087   -70.3559     177.635   109.644      
1 1 1 -32 6  8  o 4  0.95623      0.270046    584.494   89.9866      ?         ?            ?         ?            
1 1 1 -32 6  9  o 2  38.0522      1.50681     1357.58   39.5358      2072.51   39.5358      476.428   39.5358      
1 1 1 -32 6  10 o 11 121.069      3.73225     3420.35   22.6265      3032.21   22.6265      72.2871   22.6265      
1 1 1 -32 6  11 o 3  12.9058      0.755745    1052.2    -18.3109     469.5     -18.3109     221.816   161.689      
1 1 1 -32 6  12 o 18 13.2665      0.796507    571.927   14.9082      734.539   14.9082      112.686   14.9082      
1 1 1 -32 6  13 o 5  10.3622      0.73815     422.26    118.225      527.385   118.225      72.6449   118.225      
1 1 1 -32 6  14 o 13 7.53654      0.531669    433.084   26.9452      480.449   26.9452      43.5927   26.9452      
1 1 1 -32 6  15 o 12 0.947612     0.343238    376.406   57.4659      320.159   -122.534     330.194   -122.534     
1 1 1 -32 6  16 o 18 1.50976      0.359282    511.691   36.7478      194.972   -143.252     328.501   -143.252     
1 1 1 -32 6  17 o 7  21.7293      1.45175     739.215   -139.009     1718.9    -139.009     522.535   -139.009     
1 1 1 -32 6  18 o 11 1.35897      0.349719    343.682   -58.586      146.326   121.414      230.793   121.414      
1 1 1 -32 6  19 o 11 3.64074      0.411478    21.6259   54.7878      58.8915   54.7878      19.8006   54.7878      
1 1 1 -32 6  20 o 11 8.39692      0.616079    372.478   114.991      ?         ?            ?         ?            
1 1 1 -32 6  21 o 7  1.12386      0.372353    254.055   -103.556     ?         ?            ?         ?            
1 1 1 -32 6  22 o 8  1.28571      0.347574    132.236   -83.4987     ?         ?            ?         ?            
1 1 1 -32 8  1  o 4  50.4185      1.63        1713.84   -167.327     2296.22   -167.327     440.132   -167.327     
1 1 1 -32 8  2  o 8  7.24664      0.64428     928.725   95.9841      138.253   -84.0159     452.529   -84.0159     
1 1 1 -32 8  3  o 2  21.5459      1.2649      1837.11   -64.6228     829.139   -64.6228     345.483   115.377      
1 1 1 -32 8  4  o 4  1.48681      0.412864    742.66    -161.475     470.619   18.5252      544.152   18.5252      
1 1 1 -32 8  5  o 5  6.64695      0.821571    1113.21   3.91434      869.371   -176.086     901.553   -176.086     
1 1 1 -32 8  6  f 0  12.0629      0.796241    1004.83   -4.79262     552.908   -4.79262     150.02    175.207      
1 1 1 -32 8  7  o 13 8.72336      0.730516    951.921   166.58       229.327   166.58       295.504   -13.4196     
1 1 1 -32 8  8  o 4  6.44598      0.536893    1228.38   -77.4482     58.9411   102.552      567.849   102.552      
1 1 1 -32 8  9  o 17 8.9829       0.61202     411.152   -85.2046     377.114   -85.2046     5.35679   -85.2046     
1 1 1 -32 8  10 o 8  7.27928      0.532719    841.563   -21.0373     325.173   -21.0373     217.186   158.963      
1 1 1 -32 8  11 o 3  13.119       0.813312    870.963   64.9254      568.022   64.9254      111.391   -115.075     
1 1 1 -32 8  12 o 7  14.7432      0.958108    941.74    -0.0890391   914.263   -0.0890391   30.0524   -0.0890391   
1 1 1 -32 8  13 o 8  14.3118      0.981907    932.833   -58.2626     982.594   -58.2626     70.0291   -58.2626     
1 1 1 -32 8  14 o 4  2.13016      0.447246    256.441   108.111      9.30704   108.111      111.132   -71.8895     
1 1 1 -32 8  15 o 7  6.88738      0.579472    681.039   29.7634      617.971   29.7634      0.970425  -150.237     
1 1 1 -32 8  16 o 16 5.38966      0.570445    206.825   -106.307     469.795   -106.307     139.996   -106.307     
1 1 1 -32 8  17 o 7  10.7292      0.679822    432.343   17.8325      1220.09   17.8325      414.345   17.8325      
1 1 1 -32 8  18 o 11 5.16111      0.589385    318.468   -58.5768     ?         ?            ?         ?            
1 1 1 -32 8  19 o 11 0.0282909    0.265554    111.495   48.0302      ?         ?            ?         ?            
1 1 1 -32 8  20 o 9  3.59703      0.444572    523.932   36.604       ?         ?            ?         ?            
1 1 1 -32 8  21 o 17 4.0022       0.749377    441.795   25.1475      ?         ?            ?         ?            
1 1 1 -32 10 1  o 17 8.44362      0.685915    761.358   -8.70883     266.427   -8.70883     210.566   171.291      
1 1 1 -32 10 2  o 15 2.12483      0.395023    379.287   -130.259     219.296   49.7414      280.865   49.7414      
1 1 1 -32 10 3  o 6  5.89657      0.510908    283.324   27.1432      82.0481   27.1432      86.9806   -152.857     
1 1 1 -32 10 4  f 0  13.9955      1.29756     69.9673   80.2243      205.759   80.2243      71.2158   80.2243      
1 1 1 -32 10 5  o 10 23.0212      1.41146     1439.16   -113.394     1136.27   -113.394     84.4109   66.6055      
1 1 1 -32 10 6  o 14 7.27748      0.537765    545.652   -58.0125     405.929   -58.0125     44.7829   121.987      
1 1 1 -32 10 7  o 6  2.36704      0.421669    471.483   91.8017      155.775   -88.1983     291.96    -88.1983     
1 1 1 -32 10 8  o 17 3.06267      0.400557    736.533   127.367      95.9861   -52.6326     381.841   -52.6326     
1 1 1 -32 10 9  f 0  17.9781      1.20343     1257.21   -38.6863     1058.69   -38.6863     38.9344   141.314      
1 1 1 -32 10 10 o 10 25.732       1.25318     949.102   -106.145     1704.64   -106.145     424.134   -106.145     
1 1 1 -32 10 11 o 10 6.99534      0.659546    309.119   -170.646     511.719   -170.646     116.177   -170.646     
1 1 1 -32 10 12 o 13 4.33764      0.6393      290.928   95.0506      102.814   95.0506      80.9067   -84.9494     
1 1 1 -32 10 13 o 7  -0.155743    0.296023    361.051   -138.348     311.174   41.6524      321.063   41.6524      
1 1 1 -32 10 14 o 7  0.00265711   0.288748    350.074   119.379      299.673   -60.6206     309.967   -60.6206     
1 1 1 -32 10 15 o 3  12.2454      0.841395    774.494   94.2341      1146.03   94.2341      227.726   94.2341      
1 1 1 -32 10 16 o 2  2.01563      0.403666    209.649   -5.27597     163.521   -5.27597     7.01964   174.724      
1 1 1 -32 10 17 o 12 0.236762     0.273428    429.473   37.2423      ?         ?            ?         ?            
1 1 1 -32 10 18 o 15 0.799645     0.302076    434.584   163.451      ?         ?            ?         ?            
1 1 1 -32 10 19 o 3  0.276138     0.306503    100.4     41.6978      ?         ?            ?         ?            
1 1 1 -32 12 1  o 14 2.85511      0.476623    707.109   42.698       8.49467   -137.302     323.689   -137.302     
1 1 1 -32 12 2  o 14 3.71184      0.465859    887.509   -82.5942     0.630686  -82.5942     400.587   97.4058      
1 1 1 -32 12 3  o 6  14.4291      0.753002    1376.37   97.3673      755.642   97.3673      244.108   -82.6327     
1 1 1 -32 12 4  o 13 3.29373      0.453919    650.927   -101.876     91.8965   78.1236      340.329   78.1236      
1 1 1 -32 12 5  o 10 6.96338      0.814963    899.396   154.151      468.867   154.151      172.994   -25.8492     
1 1 1 -32 12 6  o 14 1.15543      0.359279    463.407   85.4753      156.739   -94.5247     288.87    -94.5247     
1 1 1 -32 12 7  o 9  2.56075      0.426496    641.048   0.71808      29.8343   0.71808      277.397   -179.282     
1 1 1 -32 12 8  o 5  0.531049     0.370606    175.08    152.682      146.729   -27.3183     153.532   -27.3183     
1 1 1 -32 12 9  o 14 1.5422       0.425332    154.883   -0.817167    9.54585   -0.817167    66.2984   179.183      
1 1 1 -32 12 10 o 3  0.541235     0.422481    400.673   -131.772     288.139   48.2281      327.154   48.2281      
1 1 1 -32 12 11 o 11 0.693757     0.329017    224.803   135.466      100.523   -44.5344     151.331   -44.5344     
1 1 1 -32 12 12 o 13 1.39137      0.378319    251.225   4.41748      11.5927   4.41748      103.611   -175.583     
1 1 1 -32 12 13 o 5  1.8179       0.379982    209.864   -128.855     201.484   -128.855     13.2112   -128.855     
1 1 1 -32 12 14 o 5  1.13822      0.399857    333.673   179.683      ?         ?            ?         ?            
1 1 1 -32 12 15 f 0  0.581068     0.320713    136.853   5.42701      ?         ?            ?         ?            
1 1 1 -32 12 16 o 4  -0.227839    0.362268    204.42    -170.654     ?         ?            ?         ?            
1 1 1 -32 14 1  o 19 2.93797      0.638557    229.881   -22.6709     303.619   -22.6709     50.6862   -22.6709     
1 1 1 -32 14 2  o 14 0.885941     0.408611    156.711   -157.633     99.2336   22.3671      118.61    22.3671      
1 1 1 -32 14 3  o 5  2.4816       0.445621    586.296   18.4038      192.028   18.4038      161.399   -161.596     
1 1 1 -32 14 4  o 12 3.60351      0.441459    1130.09   -159.703     22.4413   20.297       504.151   20.297       
1 1 1 -32 14 5  o 10 2.5449       0.465755    346.84    178.62       243.381   178.62       27.9768   -1.38038     
1 1 1 -32 14 6  o 19 3.37673      0.542444    295.324   117.022      455.538   117.022      102.26    117.022      
1 1 1 -32 14 7  o 11 0.954448     0.432332    591.559   -71.7194     201.484   108.281      347.356   108.281      
1 1 1 -32 14 8  o 14 -0.201609    0.254525    228.655   -82.3506     ?         ?            ?         ?            
1 1 1 -32 14 9  o 14 3.07518      0.463855    283.081   -140.509     489.834   -140.509     131.635   -140.509     
1 1 1 -32 14 10 o 14 0.495338     0.315793    79.3041   -94.9278     ?         ?            ?         ?            
1 1 1 -32 14 11 o 14 0.159309     0.281509    110.018   13.1374      ?         ?            ?         ?            
1 1 1 -32 14 12 o 7  0.870711     0.339016    557.363   138.933      ?         ?            ?         ?            
1 1 1 -32 14 13 o 4  0.968974     0.332786    136.897   -19.1053     ?         ?            ?         ?            
1 1 1 -32 16 1  o 10 1.95191      0.508984    109.683   65.6045      297.612   65.6045      107.537   65.6045      
1 1 1 -32 16 2  o 1  0.783323     0.444081    290.863   -178.227     79.0238   -178.227     69.9862   1.77304      
1 1 1 -32 16 3  o 11 0.842168     0.425647    528.22    94.8723      ?         ?            ?         ?            
1 1 1 -32 16 4  o 10 0.295783     0.357551    37.927    87.7037      ?         ?            ?         ?            
1 1 1 -32 16 5  o 16 1.2437       0.481878    262.354   -170.261     ?         ?            ?         ?            
1 1 1 -31 1  1  o 5  8.1755       0.553517    652.442   -71.0977     ?         ?            ?         ?            
1 1 1 -31 1  2  o 1  18.4098      0.920537    483.402   52.2587      687.976   52.2587      138.561   52.2587      
1 1 1 -31 1  3  o 13 28.8214      1.20655     1700.83   -69.8862     1200.76   -69.8862     121.881   110.114      
1 1 1 -31 1  4  o 16 23.4448      1.22289     851.806   -56.8763     1026.82   -56.8763     152.296   -56.8763     
1 1 1 -31 1  5  o 8  8.28691      0.725218    687.937   126.073      290.614   126.073      145.508   -53.9265     
1 1 1 -31 1  6  o 1  7.57327      0.540345    485.776   67.7204      39.474    67.7204      184.677   -112.28      
1 1 1 -31 1  7  o 16 30.6413      1.45453     1437.41   78.2782      1516.47   78.2782      157.724   78.2782      
1 1 1 -31 1  8  o 11 34.3924      1.7198      1525.87   162.21       1604.79   162.21       171.593   162.21       
1 1 1 -31 1  9  o 16 8.61307      0.788313    778.34    -76.7186     536.7     -76.7186     49.2294   103.281      
1 1 1 -31 1  10 f 0  14.5673      0.839302    818.161   -173.011     679.139   -173.011     9.88637   -173.011     
1 1 1 -31 1  11 o 3  13.6086      0.806971    1202.8    75.1537      750.963   75.1537      106.379   -104.846     
1 1 1 -31 1  12 o 5  29.4132      1.24023     971.565   -52.5527     1615.59   -52.5527     415.549   -52.5527     
1 1 1 -31 1  13 o 7  35.0845      1.34167     1669.19   -113.509     1599.07   -113.509     108.802   -113.509     
1 1 1 -31 1  14 o 16 20.1531      0.932717    622.429   -151.646     1197.16   -151.646     331.367   -151.646     
1 1 1 -31 1  15 o 16 40.5         1.82518     1456.29   152.134      2028.22   152.134      366.447   152.134      
1 1 1 -31 1  16 o 5  38.8586      1.44749     1255.74   -62.3071     2074.82   -62.3071     468.164   -62.3071     
1 1 1 -31 1  17 o 18 25.5594      1.08808     1010.97   -53.7444     1531.74   -53.7444     307.647   -53.7444     
1 1 1 -31 1  18 o 11 2.68122      0.433954    397.857   -133.041     6.19476   46.9586      182.581   46.9586      
1 1 1 -31 1  19 o 2  3.54548      0.4602      281.78    118.745      240.701   118.745      7.76924   -61.2549     
1 1 1 -31 1  20 o 15 6.09562      0.653399    181.794   -13.5729     502.052   -13.5729     167.624   -13.5729     
1 1 1 -31 1  21 o 3  2.17735      0.411579    188.032   74.9209      ?         ?            ?         ?            
1 1 1 -31 1  22 o 11 6.3189       0.591964    273.836   96.7589      ?         ?            ?         ?            
1 1 1 -31 1  23 f 0  1.07026      0.362826    208.164   -106.445     ?         ?            ?         ?            
1 1 1 -31 1  24 o 7  2.06671      0.46388     187.848   -144.097     ?         ?            ?         ?            
1 1 1 -31 3  1  o 9  73.7389      2.32351     2078.04   -91.7143     2842.97   -91.7143     545.411   -91.7143     
1 1 1 -31 3  2  o 17 10.5754      0.587829    737.889   86.0084      ?         ?            ?         ?            
1 1 1 -31 3  3  o 8  33.7582      1.44823     919.983   -18.0076     1839.92   -18.0076     532.419   -18.0076     
1 1 1 -31 3  4  o 15 20.3781      0.880022    988.195   88.1629      804.803   88.1629      12.8592   -91.8371     
1 1 1 -31 3  5  o 19 20.6812      1.05232     1543.21   -76.7802     1020.97   -76.7802     135.265   103.22       
1 1 1 -31 3  6  o 8  14.4075      0.831759    1552.58   -98.4734     616.216   -98.4734     337.337   81.5266      
1 1 1 -31 3  7  o 4  11.5157      0.638083    757.973   162.931      366.996   162.931      128.75    -17.0688     
1 1 1 -31 3  8  o 9  5.27904      0.439947    667.191   -105.21      93.8175   74.7896      318.723   74.7896      
1 1 1 -31 3  9  o 14 0.731207     0.196586    609.039   -76.1232     ?         ?            ?         ?            
1 1 1 -31 3  10 o 11 7.03164      0.510547    765.609   -91.501      140.705   -91.501      236.399   88.499       
1 1 1 -31 3  11 o 10 26.0094      1.16746     868.713   80.0107      1691.58   80.0107      496.131   80.0107      
1 1 1 -31 3  12 o 16 51.8524      1.79432     1467.68   -28.0538     2328.12   -28.0538     561.928   -28.0538     
1 1 1 -31 3  13 o 10 25.4718      1.25346     627.309   -36.3739     1453.72   -36.3739     461.106   -36.3739     
1 1 1 -31 3  14 o 11 8.32676      0.60729     851.953   86.2466      382.461   86.2466      182.888   -93.7534     
1 1 1 -31 3  15 o 17 24.8258      1.08416     932.385   65.3307      1585.48   65.3307      372.505   65.3307      
1 1 1 -31 3  16 o 9  22.5581      1.07434     1455.61   -156.605     1144.42   -156.605     88.7981   23.395       
1 1 1 -31 3  17 o 8  10.3408      0.79174     801.829   -103.871     708.229   -103.871     8.19226   76.129       
1 1 1 -31 3  18 o 15 1.26638      0.337513    253.783   -42.0323     96.6905   137.968      163.037   137.968      
1 1 1 -31 3  19 o 7  10.1207      0.565648    352.478   -99.65       1019.9    -99.65       348.726   -99.65       
1 1 1 -31 3  20 o 2  2.57259      0.760384    589.295   98.6819      161.237   98.6819      188.115   -81.3181     
1 1 1 -31 3  21 o 16 3.92316      0.504212    580.346   142.769      ?         ?            ?         ?            
1 1 1 -31 3  22 o 17 3.79105      0.414486    419.138   -12.6842     ?         ?            ?         ?            
1 1 1 -31 3  23 o 17 0.520738     0.363096    246.427   116.515      ?         ?            ?         ?            
1 1 1 -31 5  1  o 7  45.5941      2.38439     2095.4    -29.8524     1883.56   -29.8524     80.8702   -29.8524     
1 1 1 -31 5  2  o 18 7.04514      0.716655    660.473   -112.837     385.423   -112.837     78.7428   67.1628      
1 1 1 -31 5  3  o 7  30.3411      1.31381     1199.43   -29.5842     1857.23   -29.5842     436.435   -29.5842     
1 1 1 -31 5  4  o 8  19.2419      0.814947    1345.93   -137.111     647.303   -137.111     226.716   42.8893      
1 1 1 -31 5  5  o 2  16.5769      0.890838    1552.82   160.973      544.916   160.973      359.213   -19.0272     
1 1 1 -31 5  6  o 8  24.9124      1.24264     864.262   10.1691      1737.21   10.1691      519.229   10.1691      
1 1 1 -31 5  7  o 5  9.18947      0.483164    1299.79   148.422      406.656   148.422      319.008   -31.5777     
1 1 1 -31 5  8  o 10 10.0629      0.637925    831.975   -124.54      213.764   -124.54      226.428   55.4604      
1 1 1 -31 5  9  o 19 34.3268      1.3099      1693.74   -111.394     1341.77   -111.394     9.81395   68.6061      
1 1 1 -31 5  10 o 4  27.791       1.17267     1382.75   -160.126     1301.57   -160.126     87.9921   -160.126     
1 1 1 -31 5  11 o 16 32.9892      1.42903     1139.78   11.4328      1788.47   11.4328      419.371   11.4328      
1 1 1 -31 5  12 o 11 6.51982      0.578622    326.507   132.902      ?         ?            ?         ?            
1 1 1 -31 5  13 o 17 38.9361      1.69194     1178.39   48.2065      2129.48   48.2065      542.686   48.2065      
1 1 1 -31 5  14 o 16 12.6537      0.830172    1016.79   25.2816      723.853   25.2815      97.656    -154.718     
1 1 1 -31 5  15 o 1  19.0559      0.81793     1006.96   52.2946      1260.22   52.2947      172.919   52.2947      
1 1 1 -31 5  16 o 18 1.31149      0.316399    119.241   -154.264     ?         ?            ?         ?            
1 1 1 -31 5  17 o 3  13.7857      0.646036    525.659   -86.8316     1263.03   -86.8316     394.009   -86.8316     
1 1 1 -31 5  18 o 1  9.12513      0.676813    363.362   144.207      948.849   144.207      308.403   144.207      
1 1 1 -31 5  19 o 13 0.839494     0.328994    211.189   -67.7413     82.4162   112.259      137.802   112.259      
1 1 1 -31 5  20 o 3  5.81136      0.468322    442.923   30.1527      ?         ?            ?         ?            
1 1 1 -31 5  21 o 4  3.73383      0.463196    468.963   121.012      ?         ?            ?         ?            
1 1 1 -31 5  22 o 6  2.9187       0.489687    384.708   60.2927      ?         ?            ?         ?            
1 1 1 -31 5  23 o 17 1.56611      0.353083    332.05    -19.2919     ?         ?            ?         ?            
1 1 1 -31 7  1  o 3  26.3167      1.52976     1943.22   42.4207      967.954   42.4207      294.942   -137.579     
1 1 1 -31 7  2  o 9  111.082      3.39456     3032.99   -48.5258     3071.07   -48.5258     319.883   -48.5258     
1 1 1 -31 7  3  o 15 22.5163      1.13221     1982.2    155.345      762.155   155.345      413.71    -24.6552     
1 1 1 -31 7  4  o 11 3.62525      0.379232    498.802   -28.7391     10.8287   -28.7391     194.835   151.261      
1 1 1 -31 7  5  o 7  15.7258      0.780905    844.897   -15.6726     1062.99   -15.6726     191.286   -15.6726     
1 1 1 -31 7  6  o 5  3.07877      0.375419    581.963   163.228      182.877   -16.7719     327.189   -16.7719     
1 1 1 -31 7  7  o 2  38.7018      1.77943     2044.6    153.899      1550.58   153.899      61.7132   -26.1011     
1 1 1 -31 7  8  o 19 9.02721      1.11397     1020.95   140.454      409.944   140.454      219.726   -39.5462     
1 1 1 -31 7  9  o 19 5.98882      0.582038    610.941   1.18865      280.517   -178.811     399.877   -178.811     
1 1 1 -31 7  10 f 0  12.9881      0.738655    1372.55   -149.187     422.751   -149.187     386.22    30.8132      
1 1 1 -31 7  11 o 8  28.494       1.2696      914.82    33.0272      1801.85   33.0272      493.536   33.0272      
1 1 1 -31 7  12 o 16 35.5637      1.34698     1816.74   79.8622      1497.63   79.8622      72.587    -100.138     
1 1 1 -31 7  13 o 16 2.21127      0.337319    375.708   -174.424     121.761   5.57568      231.497   5.57568      
1 1 1 -31 7  14 o 11 26.1507      1.28004     1094.63   67.6303      1567.47   67.6303      288.502   67.6303      
1 1 1 -31 7  15 o 7  14.2447      0.992498    996.769   -79.9788     876.044   -79.9788     11.6776   100.021      
1 1 1 -31 7  16 o 4  2.84363      0.490136    200.04    2.86627      69.3044   2.86627      56.1899   -177.134     
1 1 1 -31 7  17 o 6  10.3598      0.772533    268.641   -60.1351     1050.86   -60.1351     402.208   -60.1351     
1 1 1 -31 7  18 o 16 3.57734      0.513167    501.715   -34.9447     402.099   -34.9447     26.3577   145.055      
1 1 1 -31 7  19 o 5  1.08257      0.327429    159.77    -80.1695     ?         ?            ?         ?            
1 1 1 -31 7  20 o 2  1.77613      0.369802    380.076   143.112      ?         ?            ?         ?            
1 1 1 -31 7  21 o 2  0.316231     0.298014    337.246   -30.966      ?         ?            ?         ?            
1 1 1 -31 7  22 o 3  1.93703      0.521846    140.746   -11.5906     ?         ?            ?         ?            
1 1 1 -31 9  1  o 15 22.7397      1.12703     1332.34   13.4763      977.963   13.4763      84.4653   -166.524     
1 1 1 -31 9  2  o 10 4.77448      0.481678    766.214   -82.5606     28.089    97.4394      343.644   97.4394      
1 1 1 -31 9  3  o 18 36.6854      1.78359     2151.24   161.438      1287.39   161.438      284.066   -18.5618     
1 1 1 -31 9  4  o 13 5.96502      0.531968    1002.72   -94.9781     90.3963   -94.9781     389.653   85.0219      
1 1 1 -31 9  5  o 11 17.5125      1.05611     1367.55   17.8492      728.323   17.8492      233.815   -162.151     
1 1 1 -31 9  6  o 13 6.41341      0.604403    407.187   -170.419     136.186   -170.419     111.774   9.58109      
1 1 1 -31 9  7  o 1  10.6359      0.860562    460.583   -129.836     129.327   -129.836     140.995   50.1635      
1 1 1 -31 9  8  o 5  22.3226      1.12126     951.766   32.2635      1411.74   32.2635      276.842   32.2635      
1 1 1 -31 9  9  o 2  7.65526      0.514821    835.678   -127.586     137.24    -127.586     310.362   52.414       
1 1 1 -31 9  10 o 2  1.5517       0.327416    235.245   19.2363      111.804   -160.764     162.719   -160.764     
1 1 1 -31 9  11 o 2  0.864618     0.340827    431.705   -178.152     345.178   1.84786      368.054   1.84786      
1 1 1 -31 9  12 o 13 10.8319      0.815139    815.716   118.999      764.375   118.999      14.0862   118.999      
1 1 1 -31 9  13 o 15 3.48223      0.529137    250.81    -15.0357     162.901   -15.0357     31.8845   164.964      
1 1 1 -31 9  14 o 19 4.55438      0.560456    468.817   11.046       415.322   11.046       5.91437   -168.954     
1 1 1 -31 9  15 o 3  16.4719      0.83343     935.466   -141.362     1285.7    -141.362     213.605   -141.362     
1 1 1 -31 9  16 o 11 6.3907       0.523412    191.568   -99.463      687.887   -99.463      257.106   -99.463      
1 1 1 -31 9  17 o 5  5.00304      0.487991    150.142   -98.9904     551.185   -98.9904     210.573   -98.9904     
1 1 1 -31 9  18 o 11 1.75272      0.347185    601.052   -68.3571     ?         ?            ?         ?            
1 1 1 -31 9  19 o 15 0.792868     0.294545    215.711   164.659      ?         ?            ?         ?            
1 1 1 -31 9  20 o 4  1.04669      0.576644    234.931   161.032      ?         ?            ?         ?            
1 1 1 -31 11 1  o 15 2.08926      0.362224    401.442   163.889      ?         ?            ?         ?            
1 1 1 -31 11 2  o 7  11.1287      0.673106    744.914   59.7348      658.569   59.7348      8.6623    -120.265     
1 1 1 -31 11 3  o 18 4.70664      0.54088     739.488   -79.6703     514.31    100.33       592.548   100.33       
1 1 1 -31 11 4  f 0  13.9222      0.976196    1314.55   157.044      712.216   157.044      239.7     -22.9557     
1 1 1 -31 11 5  o 13 7.50814      0.577891    704.158   6.59746      508.838   6.59746      64.3628   -173.403     
1 1 1 -31 11 6  o 9  1.63006      0.349214    666.265   -73.2536     411.284   106.746      506.798   106.746      
1 1 1 -31 11 7  o 2  7.70544      0.620174    1148.3    -169.75      304.036   -169.75      366.255   10.2502      
1 1 1 -31 11 8  o 2  1.86583      0.416483    318.494   -100.523     124.108   79.4769      205.746   79.4769      
1 1 1 -31 11 9  o 3  1.59246      0.482751    475.269   40.4693      132.946   -139.531     281.333   -139.531     
1 1 1 -31 11 10 o 11 0.89866      0.350782    374.247   -27.9691     320.67    152.031      330.41    152.031      
1 1 1 -31 11 11 o 10 8.74458      0.772786    513.298   -44.2513     918.893   -44.2513     224.582   -44.2513     
1 1 1 -31 11 12 o 19 1.45126      0.341598    572.097   -57.2694     167.212   122.731      346.057   122.731      
1 1 1 -31 11 13 o 18 4.97912      0.502051    425.575   -91.877      618.47    -91.877      116.241   -91.877      
1 1 1 -31 11 14 o 7  1.10263      0.347847    480.801   -36.7507     44.4935   143.249      233.017   143.249      
1 1 1 -31 11 15 o 14 2.37609      0.397451    285.192   -170.185     344.673   -170.185     53.5247   -170.185     
1 1 1 -31 11 16 o 13 0.989221     0.326227    456.849   96.7697      ?         ?            ?         ?            
1 1 1 -31 11 17 o 19 2.25366      0.419054    596.786   -179.532     ?         ?            ?         ?            
1 1 1 -31 11 18 o 11 0.324183     0.318464    30.2429   17.3191      ?         ?            ?         ?            
1 1 1 -31 13 1  o 17 0.0939429    0.331809    630.186   -166.149     ?         ?            ?         ?            
1 1 1 -31 13 2  o 2  3.08315      0.436318    636.436   100.235      92.101    100.235      245.581   -79.7653     
1 1 1 -31 13 3  o 16 5.93442      0.67883     1148.15   -117.209     160.056   -117.209     446.288   62.7911      
1 1 1 -31 13 4  o 3  0.834824     0.34451     500.721   12.8538      262.901   -167.146     361.132   -167.146     
1 1 1 -31 13 5  o 9  0.806451     0.520655    419.385   43.8742      192.547   -136.126     288.717   -136.126     
1 1 1 -31 13 6  o 13 0.159652     0.297368    313.86    79.5385      ?         ?            ?         ?            
1 1 1 -31 13 7  o 16 2.25542      0.455483    590.846   106.038      95.3658   106.038      222.002   -73.9619     
1 1 1 -31 13 8  o 4  2.01025      0.387513    92.8949   9.17388      75.8224   9.17388      4.05787   -170.826     
1 1 1 -31 13 9  o 6  1.38989      0.449624    68.5433   -129.382     22.9889   -129.382     18.8903   50.618       
1 1 1 -31 13 10 o 14 1.02548      0.340684    242.273   1.55656      21.8207   -178.443     115.246   -178.443     
1 1 1 -31 13 11 o 7  0.19776      0.292252    379.685   179.903      226.474   -0.0968401   271.037   -0.0968401   
1 1 1 -31 13 12 o 9  -0.105748    0.271739    101.803   -111.975     81.3893   68.0245      81.6339   68.0245      
1 1 1 -31 13 13 o 19 0.699012     0.374884    256.42    155.053      ?         ?            ?         ?            
1 1 1 -31 13 14 o 4  0.70608      0.404831    413.2     -11.0306     ?         ?            ?         ?            
1 1 1 -31 13 15 < 11 -0.726697    0.190238    ?         ?            ?         ?            ?         ?            
1 1 1 -31 15 1  o 5  1.24274      0.413177    346.021   -26.7926     75.8474   -26.7926     101.038   153.207      
1 1 1 -31 15 2  o 10 1.4617       0.387378    311.818   9.57412      195.382   9.57412      27.5936   -170.426     
1 1 1 -31 15 3  o 14 2.06474      0.422159    206.087   -89.8442     283.313   -89.8442     59.0288   -89.8442     
1 1 1 -31 15 4  o 17 0.308538     0.333086    28.6889   -88.9882     8.72591   91.0118      15.8156   91.0118      
1 1 1 -31 15 5  o 12 0.91237      0.330905    448.686   56.8652      26.8353   -123.135     191.502   -123.135     
1 1 1 -31 15 6  o 10 0.153373     0.480884    387.252   -170.819     158.752   9.18116      232.117   9.18116      
1 1 1 -31 15 7  o 13 0.543013     0.368439    152.217   -61.2869     6.52715   118.713      62.9149   118.713      
1 1 1 -31 15 8  o 17 0.284966     0.347317    400.398   -68.0361     ?         ?            ?         ?            
1 1 1 -31 15 9  o 11 0.367508     0.33259     231.855   -25.4549     ?         ?            ?         ?            
1 1 1 -31 15 10 o 1  0.16718      0.282714    161.17    129.542      ?         ?            ?         ?            
1 1 1 -30 0  1  o 16 5.54826      0.454842    882.274   180          172.509   2.3586e-14   462.445   4.39922e-15  
1 1 1 -30 0  2  o 8  145.141      5.96366     3132.65   180          4040      180          684.116   180          
1 1 1 -30 0  3  o 11 11.8472      0.911604    986.731   0            ?         ?            ?         ?            
1 1 1 -30 0  4  o 10 0.309932     0.204554    46.7702   180          ?         ?            ?         ?            
1 1 1 -30 0  5  o 6  22.9416      1.40601     1438.83   0            1200.64   0            10.1272   180          
1 1 1 -30 0  6  o 8  41.1319      2.91195     413.527   180          2203.7    180          927.079   180          
1 1 1 -30 0  7  o 8  2.49314      0.562267    257.783   180          113.698   6.34847e-15  165.133   2.18554e-15  
1 1 1 -30 0  8  o 15 2.14297      0.614432    393.58    180          ?         ?            ?         ?            
1 1 1 -30 0  9  o 12 10.4877      0.931839    942.347   180          841.187   180          33.5685   180          
1 1 1 -30 0  10 o 15 15.0498      1.00915     933.033   180          1293.86   180          269.153   180          
1 1 1 -30 0  11 o 13 1.18095      0.387945    593.879   0            ?         ?            ?         ?            
1 1 1 -30 0  12 o 15 43.7715      5.49695     1582.01   0            2336.98   0            532.531   0            
1 1 1 -30 0  13 o 13 23.3299      1.67115     906.092   0            1298.89   0            277.755   0            
1 1 1 -30 0  14 o 15 5.81395      0.652806    182.156   0            91.1676   0            31.8352   180          
1 1 1 -30 0  15 o 15 10.2229      0.853687    788.003   180          697.511   180          0.8543    180          
1 1 1 -30 0  16 o 18 61.1791      2.71269     1785.62   180          2698.89   180          541.862   180          
1 1 1 -30 0  17 o 6  1.51345      0.698322    440.226   180          309.865   2.02949e-15  354.677   8.86534e-16  
1 1 1 -30 0  18 o 14 4.20313      0.573469    727.457   180          97.517    180          279.489   9.46492e-15  
1 1 1 -30 0  19 o 3  6.16408      0.838198    406.048   0            667.726   0            149.654   0            
1 1 1 -30 0  20 o 3  0.538536     0.409336    198.971   180          147.662   1.66001e-15  165.129   7.42209e-16  
1 1 1 -30 0  21 o 9  6.37725      1.04188     465.13    180          858.806   180          220.968   180          
1 1 1 -30 0  22 o 2  3.98007      0.604991    121.844   0            ?         ?            ?         ?            
1 1 1 -30 0  23 o 2  1.41816      0.707264    172.522   0            ?         ?            ?         ?            
1 1 1 -30 0  24 o 1  4.56621      0.858321    384.455   180          ?         ?            ?         ?            
1 1 1 -30 2  1  o 13 23.5271      0.890745    1120.08   171.158      1217.41   171.158      132.771   171.158      
1 1 1 -30 2  2  o 14 23.747       1.3643      763.558   75.2455      1218.74   75.2455      284.892   75.2455      
1 1 1 -30 2  3  o 18 74.7364      2.9432      1990.39   -79.5595     2720.3    -79.5595     514.985   -79.5595     
1 1 1 -30 2  4  o 8  16.6008      1.11079     753.562   -90.1764     787.461   -90.1764     74.3027   -90.1764     
1 1 1 -30 2  5  o 5  13.6103      0.81782     1277.1    66.3894      344.034   66.3894      367.754   -113.611     
1 1 1 -30 2  6  o 12 15.9013      0.783112    1049.94   -38.6065     900.279   -38.6065     8.46215   -38.6065     
1 1 1 -30 2  7  o 1  5.26246      0.447284    221.128   -121.889     174.459   58.1106      179.567   58.1106      
1 1 1 -30 2  8  o 5  3.76429      0.388769    302.686   171.688      173.379   -8.3121      211.741   -8.3121      
1 1 1 -30 2  9  o 3  4.35953      0.412611    826.159   117.593      ?         ?            ?         ?            
1 1 1 -30 2  10 o 15 0.717026     0.250167    458.066   -128.238     ?         ?            ?         ?            
1 1 1 -30 2  11 o 8  10.9568      0.764116    1058.21   144.821      37.637    -35.179      442.761   -35.179      
1 1 1 -30 2  12 o 2  25.3243      1.14262     290.049   -172.253     848.22    -172.253     306.904   -172.253     
1 1 1 -30 2  13 o 3  12.0407      0.65755     622.376   -5.90386     724.355   -5.90386     104.178   -5.90386     
1 1 1 -30 2  14 o 9  24.5233      1.21972     1189.68   86.6062      1305.85   86.6061      141.125   86.6061      
1 1 1 -30 2  15 o 12 44.0758      1.32293     1354.17   -70.7469     2260.9    -70.7469     527.279   -70.7469     
1 1 1 -30 2  16 o 9  33.4826      1.21844     1759.71   41.8078      1447.82   41.8078      74.1315   -138.192     
1 1 1 -30 2  17 o 2  24.9939      1.13275     1447.23   122.461      1309.68   122.461      0.902377  -57.5386     
1 1 1 -30 2  18 o 10 17.4703      0.870428    1339.6    -113.365     953.114   -113.365     127.788   66.6346      
1 1 1 -30 2  19 o 10 5.197        0.685848    814.421   -98.4334     335.224   -98.4334     202.968   81.5666      
1 1 1 -30 2  20 o 9  1.03992      0.341931    331.999   -117.489     80.3662   62.5115      192.45    62.5115      
1 1 1 -30 2  21 o 7  7.93088      0.819423    687.847   22.7252      ?         ?            ?         ?            
1 1 1 -30 2  22 o 1  1.75385      0.400421    172.973   93.2355      ?         ?            ?         ?            
1 1 1 -30 2  23 f 0  2.74677      0.442897    349.207   -106.069     ?         ?            ?         ?            
1 1 1 -30 2  24 o 18 2.18045      0.364828    247.414   18.5163      ?         ?            ?         ?            
1 1 1 -30 4  1  o 13 68.1903      2.79303     1453.16   -170.202     3019.86   -170.202     900.446   -170.202     
1 1 1 -30 4  2  o 8  16.6271      0.822848    566.381   -53.4213     181.627   -53.4213     146.782   126.579      
1 1 1 -30 4  3  o 7  47.8906      1.62997     1738      -6.90754     2194.04   -6.90754     368.901   -6.90754     
1 1 1 -30 4  4  o 19 10.906       0.530017    991.542   158.786      519.927   158.786      154.185   -21.2136     
1 1 1 -30 4  5  o 2  19.3958      0.847639    728.859   89.2708      1367.78   89.2708      380.985   89.2708      
1 1 1 -30 4  6  o 19 7.07191      0.486269    772.079   41.6633      158.38    -138.337     397.721   -138.337     
1 1 1 -30 4  7  o 10 39.2071      1.55711     1756.59   -33.4977     1768.28   -33.4977     166.226   -33.4977     
1 1 1 -30 4  8  o 10 10.6721      0.59338     521.064   131.998      512.953   131.998      45.6817   131.998      
1 1 1 -30 4  9  o 18 13.198       0.760582    673.391   -170.835     519.898   -170.835     10.307    9.1649       
1 1 1 -30 4  10 o 3  8.78746      0.590095    771.568   -44.7813     515.95    -44.7813     51.3594   135.219      
1 1 1 -30 4  11 o 2  31.8289      1.28314     1291.61   179.556      1808.3    179.556      380.743   179.556      
1 1 1 -30 4  12 o 18 3.80252      0.457931    964.386   159.472      747.653   -20.5284     774.304   -20.5284     
1 1 1 -30 4  13 o 6  12.9257      0.774983    1060.62   -150.353     606.471   -150.353     152.47    29.6466      
1 1 1 -30 4  14 o 3  12.3764      0.769194    821.1     -13.3775     770.047   -13.3775     20.4065   -13.3775     
1 1 1 -30 4  15 o 12 30.0578      1.37667     476.08    57.5639      1930.99   57.5639      749.921   57.5639      
1 1 1 -30 4  16 o 14 14.3312      0.716712    639.432   15.8993      1104.67   15.8993      262.24    15.8993      
1 1 1 -30 4  17 o 14 6.81878      0.591441    881.535   23.598       421.012   23.598       187.303   -156.402     
1 1 1 -30 4  18 o 14 2.45385      0.400463    322.192   124.166      7.93816   124.166      142.034   -55.8342     
1 1 1 -30 4  19 o 9  1.65497      0.399492    536.324   -170.009     68.4519   9.99074      280.167   9.99074      
1 1 1 -30 4  20 o 6  4.40415      0.408193    286.605   -52.1875     553.241   -52.1875     147.041   -52.1875     
1 1 1 -30 4  21 o 5  1.05004      0.408728    238.832   106.805      ?         ?            ?         ?            
1 1 1 -30 4  22 o 19 0.600472     0.310012    92.4836   117.324      ?         ?            ?         ?            
1 1 1 -30 4  23 o 12 0.92581      0.345091    366.201   -35.1042     ?         ?            ?         ?            
1 1 1 -30 6  1  o 8  7.43722      0.837183    618.81    175.139      465.33    175.139      18.0703   -4.8613      
1 1 1 -30 6  2  o 5  1.00831      0.294273    324.688   108.227      ?         ?            ?         ?            
1 1 1 -30 6  3  o 8  16.2408      0.824969    1774.66   -78.0551     593.28    -78.0551     421.576   101.945      
1 1 1 -30 6  4  o 6  0.458641     0.191419    460.045   -47.6915     ?         ?            ?         ?            
1 1 1 -30 6  5  o 18 5.492        0.426034    551.397   96.8242      45.3186   -83.1758     244.424   -83.1758     
1 1 1 -30 6  6  o 9  0.515071     0.216157    585.812   -140.455     ?         ?            ?         ?            
1 1 1 -30 6  7  o 19 35.228       1.49578     2161.22   -20.73       1374.7    -20.73       178.634   159.27       
1 1 1 -30 6  8  o 13 6.28401      0.578592    1021.52   9.46303      63.0101   -170.537     442.58    -170.537     
1 1 1 -30 6  9  o 1  21.9878      1.15053     1218.48   -176.677     1253.39   -176.677     130.519   -176.677     
1 1 1 -30 6  10 o 2  19.2656      1.24507     815.008   -98.9109     1301.06   -98.9109     311.708   -98.9109     
1 1 1 -30 6  11 o 16 16.6653      0.844922    575.199   -158.054     965.717   -158.054     236.985   -158.054     
1 1 1 -30 6  12 o 3  27.4762      1.19875     970.735   -51.3009     1677.43   -51.3009     411.456   -51.3009     
1 1 1 -30 6  13 o 14 1.6865       0.422701    235.216   70.096       196.602   -109.904     204.16    -109.904     
1 1 1 -30 6  14 o 1  28.2058      1.32345     1372.62   -119.509     1461.66   -119.509     107.566   -119.509     
1 1 1 -30 6  15 o 8  10.5118      0.740717    686.723   45.7833      699.368   45.7833      38.7672   45.7833      
1 1 1 -30 6  16 o 6  24.1216      1.23556     928.825   -94.4672     1675.51   -94.4672     418.727   -94.4672     
1 1 1 -30 6  17 o 14 5.22794      0.780264    546.842   72.7035      452.047   72.7035      22.3746   -107.296     
1 1 1 -30 6  18 o 3  2.32622      0.348731    330.11    153.595      156.155   153.595      73.3867   -26.4055     
1 1 1 -30 6  19 o 19 5.87752      0.506489    549.663   -130.547     658.63    -130.547     81.5135   -130.547     
1 1 1 -30 6  20 o 5  1.22517      0.38833     175.456   56.4357      ?         ?            ?         ?            
1 1 1 -30 6  21 o 13 5.04001      0.477182    196.693   -14.0565     ?         ?            ?         ?            
1 1 1 -30 6  22 o 1  0.486367     0.312088    297.662   -175.512     ?         ?            ?         ?            
1 1 1 -30 8  1  o 13 18.3324      0.890723    2261.48   -90.3578     351.001   -90.3578     744.922   89.6422      
1 1 1 -30 8  2  o 9  7.75612      0.552813    1109.74   -124.691     344.408   55.3094      623.749   55.3094      
1 1 1 -30 8  3  o 10 6.71113      0.640992    583.784   -97.0237     157.055   -97.0237     159.471   82.9763      
1 1 1 -30 8  4  o 4  2.30204      0.354614    689.867   17.1375      ?         ?            ?         ?            
1 1 1 -30 8  5  o 15 7.42427      0.689898    898.176   143.116      236.924   143.116      252.146   -36.8841     
1 1 1 -30 8  6  o 11 1.52426      0.303667    501.729   -9.94987     277.831   170.05       348.296   170.05       
1 1 1 -30 8  7  o 18 2.36569      0.41086     1157.72   -71.6158     ?         ?            ?         ?            
1 1 1 -30 8  8  o 7  13.2698      0.689634    1414.13   -78.8588     466.422   -78.8588     377.266   101.141      
1 1 1 -30 8  9  o 9  2.16958      0.307004    716.654   133.294      ?         ?            ?         ?            
1 1 1 -30 8  10 o 11 11.3809      0.615348    556.254   -135.817     704.766   -135.817     103.175   -135.817     
1 1 1 -30 8  11 o 9  2.11848      0.361116    749.93    -71.13       ?         ?            ?         ?            
1 1 1 -30 8  12 o 8  18.9466      0.923243    1224.79   -85.3123     1109.97   -85.3123     1.14289   94.6877      
1 1 1 -30 8  13 o 18 19.208       1.13836     878.667   111.026      1266.25   111.026      235.641   111.026      
1 1 1 -30 8  14 o 17 9.28319      0.650537    843.677   -168.02      713.228   -168.02      23.9987   11.9801      
1 1 1 -30 8  15 o 5  3.0376       0.57245     213.49    -39.7288     16.2615   140.271      104.962   140.271      
1 1 1 -30 8  16 o 10 1.59839      0.361002    435.246   178.773      79.601    -1.22692     239.242   -1.22692     
1 1 1 -30 8  17 o 4  5.72776      0.517735    302.513   -126.471     693.242   -126.471     208.684   -126.471     
1 1 1 -30 8  18 o 14 1.80422      0.380745    438.025   160.197      142.47    160.197      120.223   -19.8033     
1 1 1 -30 8  19 o 14 2.21317      0.454057    91.1246   174.535      ?         ?            ?         ?            
1 1 1 -30 8  20 o 12 2.32612      0.387916    469.053   -132.423     ?         ?            ?         ?            
1 1 1 -30 8  21 o 19 3.07256      0.568253    378.422   -179.649     ?         ?            ?         ?            
1 1 1 -30 10 1  o 12 9.87166      0.633093    352.306   121.416      459.067   121.416      71.8262   121.416      
1 1 1 -30 10 2  o 17 10.6694      0.651274    1018.49   37.1301      513.394   37.1301      199.119   -142.87      
1 1 1 -30 10 3  o 12 5.19493      0.679653    877.208   -23.82       66.8046   156.18       426.602   156.18       
1 1 1 -30 10 4  o 18 2.05131      0.402359    768.499   83.4757      407.483   -96.5243     549.259   -96.5243     
1 1 1 -30 10 5  o 15 20.4005      1.09133     1221      135.731      992.251   135.731      54.9406   -44.2685     
1 1 1 -30 10 6  o 12 25.474       1.23349     969.904   113.861      1536.26   113.861      328.798   113.861      
1 1 1 -30 10 7  o 16 3.72456      0.418254    807.979   -35.8093     50.0502   144.191      391.841   144.191      
1 1 1 -30 10 8  o 11 7.00923      0.554262    1265.68   -152.793     199.82    27.2071      674.515   27.2071      
1 1 1 -30 10 9  o 17 1.71167      0.447959    913.962   150.994      416.715   -29.0064     622.341   -29.0064     
1 1 1 -30 10 10 o 15 4.45751      1.01387     289.062   145.904      204.987   145.904      28.0399   -34.0961     
1 1 1 -30 10 11 o 15 1.52994      0.351982    638.131   -51.2503     308.589   128.75       442.231   128.75       
1 1 1 -30 10 12 o 19 13.1792      1.26879     1214.45   -170.165     786.587   -170.165     157.069   9.83468      
1 1 1 -30 10 13 o 8  2.80699      0.425268    236.831   53.4521      127.052   53.4521      44.7105   -126.548     
1 1 1 -30 10 14 o 15 1.59712      0.465968    17.0424   -116.528     8.22858   63.4724      11.9318   63.4724      
1 1 1 -30 10 15 o 8  3.06308      0.436847    432.252   -103.975     356.768   -103.975     16.6256   76.0247      
1 1 1 -30 10 16 o 12 0.348407     0.280095    266.477   -93.9406     140.807   86.0594      185.231   86.0594      
1 1 1 -30 10 17 o 18 -0.0330495   0.23989     341.477   -137.345     ?         ?            ?         ?            
1 1 1 -30 10 18 o 19 0.501214     0.278791    145.364   -9.53715     ?         ?            ?         ?            
1 1 1 -30 10 19 o 3  1.0762       0.422579    456.53    -56.7816     ?         ?            ?         ?            
1 1 1 -30 12 1  o 19 8.48371      0.610281    176.597   53.1659      465.998   53.1659      153.33    53.1659      
1 1 1 -30 12 2  f 0  0.55924      0.371544    198.544   -98.8214     152.917   81.1786      166.029   81.1786      
1 1 1 -30 12 3  o 6  2.4876       0.386115    401.779   103.536      120.622   -76.4644     241.58    -76.4644     
1 1 1 -30 12 4  o 11 2.58364      0.519001    251.032   27.0653      50.5588   27.0653      88.0107   -152.935     
1 1 1 -30 12 5  o 5  9.69904      0.848272    419.763   22.1418      871.619   22.1418      246.209   22.1418      
1 1 1 -30 12 6  o 2  1.24822      0.338276    303.016   79.3512      115.093   -100.649     194.675   -100.649     
1 1 1 -30 12 7  o 8  0.912425     0.35819     678.745   -29.404      355.874   150.596      486.135   150.596      
1 1 1 -30 12 8  o 17 1.79786      0.376081    503.15    -116.324     128.615   63.6756      293.853   63.6756      
1 1 1 -30 12 9  o 5  1.25731      0.380472    767.938   -169.375     261.879   10.625       482.893   10.625       
1 1 1 -30 12 10 o 4  2.02503      0.447674    435.278   25.2469      89.5655   25.2469      154.844   -154.753     
1 1 1 -30 12 11 o 12 0.248862     0.339685    471.206   -9.27956     341.346   170.72       384.765   170.72       
1 1 1 -30 12 12 o 13 1.8635       0.421526    417.342   135.193      138.937   135.193      115.386   -44.807      
1 1 1 -30 12 13 o 3  1.3433       0.41841     227.779   10.3244      104.277   10.3244      44.6519   -169.676     
1 1 1 -30 12 14 o 4  0.654952     0.433179    367.071   -164.756     ?         ?            ?         ?            
1 1 1 -30 12 15 o 19 1.32824      0.430658    345.113   -87.8646     ?         ?            ?         ?            
1 1 1 -30 12 16 o 6  0.688223     0.327845    106.747   158.962      ?         ?            ?         ?            
1 1 1 -30 12 17 o 9  0.871083     0.385464    205.963   65.3093      ?         ?            ?         ?            
1 1 1 -30 14 1  o 3  1.11537      0.462089    197.831   14.789       9.6359    -165.211     93.493    -165.211     
1 1 1 -30 14 2  o 9  0.0593485    0.214547    336.865   118.997      ?         ?            ?         ?            
1 1 1 -30 14 3  o 18 0.923122     0.389859    152.245   33.8196      22.4655   -146.18      79.3301   -146.18      
1 1 1 -30 14 4  o 13 2.08437      0.436848    456.937   -3.02665     189.305   -3.02665     108.58    176.973      
1 1 1 -30 14 5  o 9  0.602607     0.440112    161.586   -101.531     90.0743   78.4693      116.221   78.4693      
1 1 1 -30 14 6  o 14 2.27156      0.430272    783.707   14.2793      52.9056   14.2793      313.87    -165.721     
1 1 1 -30 14 7  o 14 1.50161      0.368707    456.89    85.2058      20.7384   85.2058      184.198   -94.7942     
1 1 1 -30 14 8  o 15 0.0837215    0.324681    318.028   75.5821      ?         ?            ?         ?            
1 1 1 -30 14 9  o 5  0.717537     0.323204    280.795   81.8494      50.44     -98.1506     139.175   -98.1506     
1 1 1 -30 14 10 f 0  1.20591      0.358312    219.972   105.095      142.035   105.095      16.465    -74.905      
1 1 1 -30 14 11 o 10 0.329721     0.321117    307.026   -77.5542     ?         ?            ?         ?            
1 1 1 -30 14 12 o 1  0.392161     0.373937    128.301   -94.8831     ?         ?            ?         ?            
1 1 1 -30 14 13 o 7  0.509113     0.324847    88.8217   99.8222      ?         ?            ?         ?            
1 1 1 -30 16 1  f 0  1.67392      0.441128    325.347   172.06       302.19    172.06       26.6838   172.06       
1 1 1 -30 16 2  < 12 -0.515628    0.138017    154.293   -16.5467     ?         ?            ?         ?            
1 1 1 -30 16 3  o 1  1.47271      0.436663    480.506   -116.755     173.661   -116.755     96.5254   63.2446      
1 1 1 -30 16 4  o 3  0.607047     0.335483    134.994   15.8215      ?         ?            ?         ?            
1 1 1 -30 16 5  o 14 0.189563     0.367662    91.516    4.15813      ?         ?            ?         ?            
1 1 1 -30 16 6  o 18 0.00194673   0.33338     137.77    19.8654      ?         ?            ?         ?            
1 1 1 -30 16 7  f 0  0.131354     0.407615    191.271   -169.543     ?         ?            ?         ?            
1 1 1 -29 1  1  o 18 12.4914      0.521671    1075.36   -133.323     147.559   -133.323     385.609   46.6766      
1 1 1 -29 1  2  f 0  61.9791      1.98797     2544.46   -13.8616     1983.22   -13.8616     95.4517   166.138      
1 1 1 -29 1  3  o 8  25.8821      0.877227    1765.19   144.179      941.006   144.179      282.895   -35.8215     
1 1 1 -29 1  4  o 10 30.2478      1.37133     1805.54   179.55       783.72    179.55       377.322   -0.450161    
1 1 1 -29 1  5  o 5  11.6934      0.503708    813.501   36.0677      359.079   36.0677      166.112   -143.932     
1 1 1 -29 1  6  o 5  12.3353      0.758131    1358.13   -69.4784     256.677   -69.4784     446.607   110.522      
1 1 1 -29 1  7  o 8  17.7297      1.01667     887.478   -103.595     1092.9    -103.595     172.876   -103.595     
1 1 1 -29 1  8  o 19 16.2977      0.754597    671.215   -28.421      1167.86   -28.421      303.92    -28.421      
1 1 1 -29 1  9  o 19 6.3694       0.55451     854.615   -9.20683     ?         ?            ?         ?            
1 1 1 -29 1  10 o 14 71.6472      2.58414     2281.61   -134.65      2504      -134.65      326.128   -134.65      
1 1 1 -29 1  11 o 11 2.62827      0.332706    695.469   36.4235      109.089   -143.576     333.634   -143.576     
1 1 1 -29 1  12 o 11 18.3819      0.918524    1369.23   71.4396      800.24    71.4396      149.638   -108.56      
1 1 1 -29 1  13 f 0  25.1327      1.06438     148.056   108.274      627.977   108.274      253.437   108.274      
1 1 1 -29 1  14 o 3  4.18564      0.366776    1056.42   42.4744      ?         ?            ?         ?            
1 1 1 -29 1  15 o 2  9.40613      0.621407    1113.29   3.07003      348.133   3.07003      316.068   -176.93      
1 1 1 -29 1  16 o 15 27.856       1.27222     1096.49   -125.426     1652.3    -125.426     330.75    -125.426     
1 1 1 -29 1  17 o 2  16.6273      0.925832    731.532   -159.678     1143.09   -159.678     239.532   -159.678     
1 1 1 -29 1  18 o 9  30.2501      1.57715     745.758   159.089      2125.59   159.089      726.237   159.089      
1 1 1 -29 1  19 o 10 20.8785      0.923708    754.79    -30.3976     1644.66   -30.3976     480.126   -30.3976     
1 1 1 -29 1  20 o 9  1.83422      0.361822    341.959   29.6594      51.0681   29.6594      131.354   -150.341     
1 1 1 -29 1  21 o 17 45.1316      1.68907     886.456   112.018      2825.77   112.018      1014.81   112.018      
1 1 1 -29 1  22 o 9  3.55693      0.56409     398.774   -116.635     ?         ?            ?         ?            
1 1 1 -29 1  23 o 8  1.7562       0.340274    299.679   36.0896      ?         ?            ?         ?            
1 1 1 -29 1  24 o 11 2.32808      0.472606    211.493   -23.5641     ?         ?            ?         ?            
1 1 1 -29 3  1  f 0  66.9388      2.74609     1326.21   7.00908      2945      7.00908      909.987   7.00908      
1 1 1 -29 3  2  o 10 54.6282      1.80785     1775.43   -147.389     2089.3    -147.389     291.545   -147.389     
1 1 1 -29 3  3  o 12 57.2195      3.59896     2003.48   99.998       1592.77   99.998       52.7057   -80.002      
1 1 1 -29 3  4  o 19 24.7295      1.57272     2240.95   167.647      335.722   167.647      780.042   -12.3533     
1 1 1 -29 3  5  o 10 44.8137      2.00843     1495.19   -93.113      2175.44   -93.113      457.371   -93.113      
1 1 1 -29 3  6  o 8  6.97997      0.493983    1100.17   -30.3202     33.4969   149.68       478.082   149.68       
1 1 1 -29 3  7  o 19 1.04623      0.237448    349.902   177.672      ?         ?            ?         ?            
1 1 1 -29 3  8  o 15 9.64089      0.578058    1029.93   -8.16174     398.863   -8.16174     224.14    171.838      
1 1 1 -29 3  9  o 5  26.9864      1.20928     622.764   75.8973      1893.86   75.8973      694.096   75.8973      
1 1 1 -29 3  10 f 0  10.9709      0.596835    777.119   160.245      820.666   160.245      98.159    160.245      
1 1 1 -29 3  11 o 15 12.2711      0.673707    1099.1    -142.161     445.994   -142.161     217.63    37.839       
1 1 1 -29 3  12 o 4  18.8505      0.96916     1170.84   -163.642     1147.08   -163.642     98.1828   -163.642     
1 1 1 -29 3  13 o 15 19.1333      1.17055     993.93    80.0105      1225.43   80.0105      197.452   80.0105      
1 1 1 -29 3  14 o 15 16.9284      0.838538    1637.84   -169.165     469.222   -169.165     475.794   10.8345      
1 1 1 -29 3  15 o 10 44.7228      1.71459     1597.24   -83.4087     2016.92   -83.4088     293.219   -83.4088     
1 1 1 -29 3  16 o 5  21.4839      1.0588      877.639   58.6775      1385.83   58.6775      294.484   58.6775      
1 1 1 -29 3  17 o 11 5.86979      0.47948     960.31    -90.7145     225.313   -90.7145     321.947   89.2855      
1 1 1 -29 3  18 o 2  6.04372      0.504621    349.073   -25.0883     420.437   -25.0883     52.6733   -25.0883     
1 1 1 -29 3  19 o 16 4.42683      0.452652    638.255   77.3102      332.824   77.3102      124.702   -102.69      
1 1 1 -29 3  20 o 2  11.2577      1.10813     619.804   -94.2459     1122.6    -94.2459     277.527   -94.2459     
1 1 1 -29 3  21 o 14 2.73447      0.46802     348.278   25.6441      ?         ?            ?         ?            
1 1 1 -29 3  22 o 14 1.56382      0.386112    462.542   157.029      ?         ?            ?         ?            
1 1 1 -29 3  23 o 1  6.27698      0.638001    373.996   58.7648      ?         ?            ?         ?            
1 1 1 -29 3  24 o 4  4.02959      0.477377    231.001   -56.4064     ?         ?            ?         ?            
1 1 1 -29 5  1  o 17 7.4883       0.544916    579.29    -24.8619     326.519   -24.8619     77.3597   155.138      
1 1 1 -29 5  2  o 13 23.7014      0.933293    600.208   113.114      1242.06   113.114      371.689   113.114      
1 1 1 -29 5  3  o 6  23.677       1.08599     274.977   -38.9629     1037.6    -38.9629     404.766   -38.9629     
1 1 1 -29 5  4  o 18 16.921       0.829444    897.561   -22.9156     1161.8    -22.9156     210.031   -22.9156     
1 1 1 -29 5  5  o 11 2.68881      0.276393    530.284   3.87624      157.415   -176.124     296.578   -176.124     
1 1 1 -29 5  6  o 1  3.69964      0.357493    206.486   152.953      43.7235   152.953      62.3413   -27.047      
1 1 1 -29 5  7  o 4  7.37237      0.485647    525.024   -159.972     12.0395   -159.972     206.299   20.0277      
1 1 1 -29 5  8  o 18 16.7603      0.915898    441.189   -70.1971     1078.88   -70.1971     362.28    -70.1971     
1 1 1 -29 5  9  o 6  4.61886      0.427357    901.984   -16.9447     125.951   163.055      424.381   163.055      
1 1 1 -29 5  10 o 10 4.46978      0.431723    376.681   169.839      ?         ?            ?         ?            
1 1 1 -29 5  11 o 6  27.2434      1.29543     1711.57   -114.283     1210.57   -114.283     98.4481   65.7174      
1 1 1 -29 5  12 o 7  7.89913      0.659881    1078.85   64.3384      373.238   -115.662     643.595   -115.662     
1 1 1 -29 5  13 o 18 10.6869      0.678355    1206.9    137.432      461.05    137.432      298.097   -42.5681     
1 1 1 -29 5  14 o 15 17.9401      0.956173    1700.6    172.19       641.719   172.19       443.654   -7.80979     
1 1 1 -29 5  15 o 7  5.26129      0.497272    1440.7    -79.7671     329.913   100.233      819.165   100.233      
1 1 1 -29 5  16 o 14 3.98835      0.388364    536.781   162.402      138.262   162.402      173.76    -17.5976     
1 1 1 -29 5  17 o 2  9.18727      0.715387    599.824   163.028      827.241   163.028      142.941   163.028      
1 1 1 -29 5  18 o 17 12.9774      0.937874    914.474   -2.52651     1016.47   -2.52651     91.6859   -2.52651     
1 1 1 -29 5  19 o 8  11.6219      0.765778    590.718   37.842       1172.26   37.842       315.244   37.842       
1 1 1 -29 5  20 o 3  1.42406      0.400408    159.701   -88.2623     47.0988   -88.2623     47.32     91.7377      
1 1 1 -29 5  21 o 10 1.20619      0.343449    190.483   -21.9559     ?         ?            ?         ?            
1 1 1 -29 5  22 o 11 2.9758       0.497089    193.64    -66.2574     ?         ?            ?         ?            
1 1 1 -29 5  23 o 16 4.47043      0.446797    220.782   98.0748      ?         ?            ?         ?            
1 1 1 -29 7  1  o 19 21.2284      1.06146     1397.51   70.0276      1233.72   70.0276      56.577    70.0276      
1 1 1 -29 7  2  o 18 33.4523      1.46046     1412.7    103.028      1538.5    103.028      202.86    103.028      
1 1 1 -29 7  3  f 0  4.6909       0.494012    678.907   -37.2127     433.351   142.787      488.762   142.787      
1 1 1 -29 7  4  o 14 0.621226     0.229722    216.276   130.907      ?         ?            ?         ?            
1 1 1 -29 7  5  o 12 1.79195      0.338743    589.882   175.411      ?         ?            ?         ?            
1 1 1 -29 7  6  o 18 2.64054      0.361374    862.999   -142.066     464.939   37.9341      579.411   37.9341      
1 1 1 -29 7  7  o 19 9.85691      0.591369    992.03    135.161      506.607   135.161      148.378   -44.8386     
1 1 1 -29 7  8  o 11 17.4739      0.736647    703.392   141.068      1112.86   141.068      267.855   141.068      
1 1 1 -29 7  9  o 19 12.1672      0.758994    890.781   -49.8935     505.02    -49.8935     120.264   130.106      
1 1 1 -29 7  10 o 19 1.05214      0.313032    842.012   -55.0591     ?         ?            ?         ?            
1 1 1 -29 7  11 f 0  65.1826      2.51067     2234.35   -171.306     2383.98   -171.306     207.836   -171.306     
1 1 1 -29 7  12 f 0  4.21007      0.406979    179.264   135.155      4.92928   -44.8447     83.0646   -44.8447     
1 1 1 -29 7  13 o 10 26.9863      1.23512     773.613   71.7452      1799.26   71.7452      548.476   71.7452      
1 1 1 -29 7  14 o 11 28.0286      1.20314     1133.57   -92.7782     1701.82   -92.7782     337.139   -92.7782     
1 1 1 -29 7  15 o 11 11.6921      0.765362    1340.8    156.588      502.701   156.588      353.636   -23.4116     
1 1 1 -29 7  16 f 0  1.60785      0.40571     727.226   70.1876      246.444   -109.812     452.509   -109.812     
1 1 1 -29 7  17 o 11 2.19799      0.378133    451.041   146.91       64.7775   146.91       174.13    -33.0903     
1 1 1 -29 7  18 o 2  1.70612      0.545368    445.057   179.425      72.6091   -0.574557    239.337   -0.574557    
1 1 1 -29 7  19 o 19 4.58711      0.500355    191.39    9.79393      551.901   9.79393      192.514   9.79393      
1 1 1 -29 7  20 o 6  1.48558      0.357036    221.792   -129.137     ?         ?            ?         ?            
1 1 1 -29 7  21 o 16 0.904004     0.330663    341.11    164.44       ?         ?            ?         ?            
1 1 1 -29 7  22 o 19 0.610521     0.405794    215.527   153.4        ?         ?            ?         ?            
1 1 1 -29 9  1  o 7  8.14178      0.602875    1081.97   143.045      ?         ?            ?         ?            
1 1 1 -29 9  2  o 1  41.5586      2.05996     2011.36   49.2864      1662.4    49.2864      18.7227   -130.714     
1 1 1 -29 9  3  o 9  14.8872      0.97663     1229.82   19.1075      770.615   19.1075      135.912   -160.893     
1 1 1 -29 9  4  o 8  11.7922      0.659085    1385.66   123.538      437.443   123.538      372.174   -56.4619     
1 1 1 -29 9  5  o 14 7.57385      0.579195    1079.45   -108.72      196.953   -108.72      366.127   71.2803      
1 1 1 -29 9  6  o 8  4.1421       0.490396    703.778   80.704       99.0795   -99.296      356.078   -99.296      
1 1 1 -29 9  7  o 6  6.29385      0.600129    711.573   22.0006      432.747   -157.999     530.502   -157.999     
1 1 1 -29 9  8  o 8  10.6862      0.708871    828.965   -24.5973     523.61    -24.5973     108.955   155.403      
1 1 1 -29 9  9  o 2  1.91048      0.337706    583.285   -17.2413     257.231   162.759      392.145   162.759      
1 1 1 -29 9  10 o 4  9.11531      0.680954    1116.89   81.2571      275.321   81.2571      369.415   -98.7429     
1 1 1 -29 9  11 o 12 8.38285      0.701326    844.476   -144.318     526.049   -144.318     120.027   35.6816      
1 1 1 -29 9  12 o 7  23.0777      1.01439     1372.98   -26.8598     1284.18   -26.8598     21.7534   -26.8598     
1 1 1 -29 9  13 o 15 0.979372     0.374537    260.249   -53.8377     213.814   126.162      224.345   126.162      
1 1 1 -29 9  14 f 0  4.4224       0.722662    390.727   -153.624     308.814   -153.624     22.9808   26.3762      
1 1 1 -29 9  15 o 10 6.15121      0.51048     649.934   75.1341      563.962   75.1341      15.8837   -104.866     
1 1 1 -29 9  16 o 13 2.47259      0.398732    541.062   -2.55977     160.162   -2.55977     166.833   177.44       
1 1 1 -29 9  17 o 2  4.95723      0.485435    585.223   33.0763      561.05    33.0763      23.2599   33.0763      
1 1 1 -29 9  18 o 8  2.25257      0.347424    373.742   135.966      ?         ?            ?         ?            
1 1 1 -29 9  19 o 1  2.35795      0.385139    512.643   -155.891     ?         ?            ?         ?            
1 1 1 -29 9  20 o 9  0.365038     0.537155    284.051   16.8723      ?         ?            ?         ?            
1 1 1 -29 11 1  o 5  1.67278      0.479091    582.703   -104.182     474.935   75.8181      502.092   75.8181      
1 1 1 -29 11 2  o 10 5.27115      0.479053    1075.64   -165.253     424.788   14.7465      700.878   14.7465      
1 1 1 -29 11 3  o 9  12.065       1.0626      1058.08   5.93871      371.787   5.93871      294.596   -174.061     
1 1 1 -29 11 4  f 0  12.0686      0.834885    1464.94   -24.0905     415.267   -24.0905     457.443   155.909      
1 1 1 -29 11 5  o 1  8.13626      0.562276    781.041   177.012      475.675   177.012      116.479   -2.98798     
1 1 1 -29 11 6  o 4  3.65914      0.457837    498.551   66.0379      45.6736   66.0379      202.992   -113.962     
1 1 1 -29 11 7  o 4  4.09973      0.610034    568.079   57.1197      180.251   57.1197      166.674   -122.88      
1 1 1 -29 11 8  o 14 0.575155     0.308594    656.785   -40.2647     513.848   139.735      553.306   139.735      
1 1 1 -29 11 9  o 10 1.3631       0.34248     458.356   52.017       ?         ?            ?         ?            
1 1 1 -29 11 10 o 15 0.782953     0.348723    315.889   162.524      276.328   -17.4763     281.223   -17.4763     
1 1 1 -29 11 11 o 8  13.6606      0.975642    730.251   -179.217     1182.39   -179.217     258.213   -179.217     
1 1 1 -29 11 12 o 9  0.208382     0.269499    352.665   36.5688      310.983   -143.431     317.266   -143.431     
1 1 1 -29 11 13 o 3  7.60419      0.571041    830.232   97.4794      640.276   97.4794      58.9952   -82.5206     
1 1 1 -29 11 14 o 1  1.15777      0.336416    133.035   156.875      4.13388   156.875      57.1158   -23.1252     
1 1 1 -29 11 15 o 12 3.19244      0.423168    339.82    79.3582      440.762   79.3582      76.3957   79.3582      
1 1 1 -29 11 16 o 1  0.425969     0.264995    129.833   154.233      ?         ?            ?         ?            
1 1 1 -29 11 17 o 12 2.26541      0.382472    588.771   1.30203      ?         ?            ?         ?            
1 1 1 -29 11 18 o 12 0.511097     0.400623    220.598   -0.78777     ?         ?            ?         ?            
1 1 1 -29 13 1  o 14 0.372781     0.35587     370.454   -179.808     325.4     0.191546     331.835   0.191546     
1 1 1 -29 13 2  < 17 -0.695794    0.173288    390.02    -24.467      ?         ?            ?         ?            
1 1 1 -29 13 3  o 1  9.23152      0.727669    829.115   41.9035      766.006   41.9035      4.21473   41.9035      
1 1 1 -29 13 4  o 18 2.40837      0.440442    424.775   -73.9064     56.6103   -73.9064     166.023   106.094      
1 1 1 -29 13 5  o 14 3.29072      0.435653    582.26    172.52       218.464   172.52       157.598   -7.47958     
1 1 1 -29 13 6  o 6  0.460947     0.329692    170.644   -116.777     106.42    63.2227      131.508   63.2227      
1 1 1 -29 13 7  o 14 2.06328      0.451784    452.094   -55.1553     87.3902   -55.1553     163.572   124.845      
1 1 1 -29 13 8  o 6  1.68564      0.382888    52.7483   162.867      26.2298   162.867      10.9337   -17.1332     
1 1 1 -29 13 9  o 13 0.612549     0.367553    669.964   -24.5812     390.155   155.419      496.331   155.419      
1 1 1 -29 13 10 o 11 6.56498      0.617476    656.505   -110.651     715.556   -110.651     69.8441   -110.651     
1 1 1 -29 13 11 o 6  1.45369      0.339339    239.197   70.226       95.9843   70.226       53.2837   -109.774     
1 1 1 -29 13 12 o 6  0.114607     0.336955    184.982   -4.87495     140.763   175.125      145.796   175.125      
1 1 1 -29 13 13 o 12 0.943702     0.317313    254.559   18.7551      ?         ?            ?         ?            
1 1 1 -29 13 14 o 5  -0.0844594   0.228759    156.574   -136.426     ?         ?            ?         ?            
1 1 1 -29 13 15 o 9  0.375197     0.281747    150.044   41.5485      ?         ?            ?         ?            
1 1 1 -29 15 1  o 2  1.48756      0.423381    642.532   154.853      62.7202   -25.1468     293.917   -25.1468     
1 1 1 -29 15 2  o 3  1.08734      0.403154    173.963   -149.024     51.7072   -149.024     45.2498   30.9756      
1 1 1 -29 15 3  o 13 3.34014      0.447727    228.452   27.9126      483.649   27.9126      148.743   27.9126      
1 1 1 -29 15 4  f 0  1.03872      0.365375    55.2242   -107.259     23.6687   -107.259     10.5286   72.7409      
1 1 1 -29 15 5  o 11 2.31202      0.432699    478.357   -146.042     315.61    -146.042     34.3024   33.9583      
1 1 1 -29 15 6  o 10 2.27822      0.570105    428.865   -173.306     334.532   -173.306     3.40141   6.69353      
1 1 1 -29 15 7  o 13 0.784955     0.375725    474.468   13.7093      39.9229   -166.291     207.171   -166.291     
1 1 1 -29 15 8  o 16 1.23568      0.394798    450.033   69.6778      101.775   69.6778      125.275   -110.322     
1 1 1 -29 15 9  o 10 0.456691     0.304423    239.646   7.43745      ?         ?            ?         ?            
1 1 1 -29 15 10 o 3  -0.0148098   0.255647    166.836   152.529      ?         ?            ?         ?            
1 1 1 -29 15 11 o 16 0.528821     0.320867    125.227   -134.286     ?         ?            ?         ?            
1 1 1 -28 0  1  o 1  56.6596      3.3551      1923.19   0            2376.61   0            362.857   0            
1 1 1 -28 0  2  o 14 57.2665      3.02945     1692.96   180          2678.54   180          612.622   180          
1 1 1 -28 0  3  o 8  2.55159      0.360098    351.407   180          208.017   3.14422e-15  254.623   1.28435e-15  
1 1 1 -28 0  4  o 14 5.83237      0.714305    824.287   0            310.784   180          507.805   180          
1 1 1 -28 0  5  o 10 29.2855      1.91372     915.858   180          1308.59   180          263.939   180          
1 1 1 -28 0  6  o 7  9.76792      0.84314     829.219   0            668.562   180          686.445   180          
1 1 1 -28 0  7  o 3  6.23192      0.591843    993.028   0            328.736   180          584.053   180          
1 1 1 -28 0  8  o 19 7.35373      1.24671     976.572   180          143.914   3.29199e-14  481.512   4.91955e-15  
1 1 1 -28 0  9  o 3  1.2501       0.442507    48.0181   0            27.9396   180          33.8687   180          
1 1 1 -28 0  10 o 3  33.3932      2.04209     1876.42   0            1681.67   0            75.0614   0            
1 1 1 -28 0  11 o 14 5.93492      0.641262    1470.11   180          104.746   180          539.279   8.37959e-15  
1 1 1 -28 0  12 o 8  8.60721      0.667784    371.061   0            239.596   0            28.9107   180          
1 1 1 -28 0  13 o 15 73.2135      3.34121     1266.26   0            3738.59   0            1354.92   0            
1 1 1 -28 0  14 o 12 3.09336      0.502171    466.337   0            268.269   180          329.762   180          
1 1 1 -28 0  15 o 11 12.3672      0.996087    768.006   0            923.13    0            126.127   0            
1 1 1 -28 0  16 o 19 2.50335      0.612128    204.44    180          61.2472   1.40737e-14  122.67    3.51339e-15  
1 1 1 -28 0  17 o 14 11.4843      1.32621     1036.19   180          839.183   180          50.9407   1.22608e-13  
1 1 1 -28 0  18 o 12 23.3278      1.40398     627.272   0            2051.5    0            742.463   0            
1 1 1 -28 0  19 o 1  50.2869      2.66941     1174.73   180          2873.19   180          904.94    180          
1 1 1 -28 0  20 o 17 2.20968      0.494921    156.173   0            78.8442   0            32.1685   180          
1 1 1 -28 0  21 o 8  20.2745      1.35601     676.911   0            1886.54   0            637.371   0            
1 1 1 -28 0  22 o 14 7.42911      0.699444    656.99    180          ?         ?            ?         ?            
1 1 1 -28 0  23 o 7  1.08507      0.56469     54.4678   0            ?         ?            ?         ?            
1 1 1 -28 0  24 o 6  1.12934      0.496634    186.325   0            ?         ?            ?         ?            
1 1 1 -28 2  1  o 10 29.845       1.33749     1363.86   166.055      1253.84   166.055      44.379    166.055      
1 1 1 -28 2  2  o 13 89.6852      2.27476     3276.56   75.0281      2296.19   75.0281      251.428   -104.972     
1 1 1 -28 2  3  o 13 78.83        2.10285     2200.75   -43.7355     2760.15   -43.7355     441.027   -43.7355     
1 1 1 -28 2  4  o 8  42.1058      1.70406     2108.87   -110.348     1359.93   -110.348     218.177   69.6521      
1 1 1 -28 2  5  o 4  79.0899      2.72503     2757.34   155.88       2281.61   155.88       30.3873   -24.1204     
1 1 1 -28 2  6  o 18 3.61862      0.472465    1178.44   79.7461      ?         ?            ?         ?            
1 1 1 -28 2  7  o 15 14.0378      0.790737    939.644   -6.18876     839.681   -6.18876     24.5608   -6.18876     
1 1 1 -28 2  8  o 12 6.73229      0.51819     975.513   -42.7817     293.957   137.218      553.558   137.218      
1 1 1 -28 2  9  o 17 3.64074      0.393732    489.811   -27.9851     ?         ?            ?         ?            
1 1 1 -28 2  10 o 5  14.6121      0.641065    1863.26   -0.135625    410.109   -0.135625    550.246   179.864      
1 1 1 -28 2  11 o 19 5.82415      0.51268     847.566   -146.155     151.269   -146.155     264.335   33.8451      
1 1 1 -28 2  12 o 4  14.6867      0.714952    587.329   147.229      665.372   147.229      96.7056   147.229      
1 1 1 -28 2  13 o 5  7.28058      0.535893    680.115   71.0202      164.238   71.0202      196.589   -108.98      
1 1 1 -28 2  14 o 12 23.5993      1.2303      686.933   -96.1261     716.163   -96.1261     66.4      -96.1261     
1 1 1 -28 2  15 o 6  36.4015      1.53431     1760.46   149.429      1591.12   149.429      18.6814   149.429      
1 1 1 -28 2  16 o 3  25.5192      1.06942     1484.85   -99.2706     1162.29   -99.2706     90.3624   80.7294      
1 1 1 -28 2  17 o 13 6.16344      0.52519     343.728   -116.934     231.365   -116.934     40.2764   63.0657      
1 1 1 -28 2  18 o 10 10.2071      0.604047    410.403   159.643      850.148   159.643      239.893   159.643      
1 1 1 -28 2  19 o 2  9.51928      0.764901    769.808   -162.167     792.054   -162.167     46.7294   -162.167     
1 1 1 -28 2  20 o 13 40.1279      1.77483     1433.64   80.4376      2120.56   80.4376      402.432   80.4376      
1 1 1 -28 2  21 o 13 24.029       1.15551     639.066   -102.165     2022.05   -102.165     725.02    -102.165     
1 1 1 -28 2  22 o 14 8.32506      0.56759     530.626   101.204      ?         ?            ?         ?            
1 1 1 -28 2  23 f 0  2.46235      0.460508    153.007   57.2643      ?         ?            ?         ?            
1 1 1 -28 2  24 o 4  2.75894      0.393666    202.218   117.073      ?         ?            ?         ?            
1 1 1 -28 4  1  o 7  5.86365      0.643952    1125.88   -2.3637      ?         ?            ?         ?            
1 1 1 -28 4  2  o 2  25.1498      1.39512     619.006   17.4862      1146.85   17.4862      311.922   17.4862      
1 1 1 -28 4  3  o 16 6.94569      0.521266    484.224   91.4839      184.977   91.4839      111.843   -88.5161     
1 1 1 -28 4  4  o 16 42.1495      1.41824     1608.43   -39.5941     1983.6    -39.5941     314.754   -39.5941     
1 1 1 -28 4  5  o 12 30.2091      1.3085      1273.69   -137.952     1704.59   -137.952     318.414   -137.952     
1 1 1 -28 4  6  o 15 10.1821      0.782398    604.574   131.946      602.981   131.946      49.7361   131.946      
1 1 1 -28 4  7  f 0  8.26216      0.54696     1412      129.191      217.038   129.191      474.022   -50.8088     
1 1 1 -28 4  8  o 18 15.1408      0.784778    1152.08   20.6389      962.771   20.6389      11.5052   20.6389      
1 1 1 -28 4  9  o 13 2.09033      0.334308    603.332   -58.8277     ?         ?            ?         ?            
1 1 1 -28 4  10 f 0  4.46192      0.387807    154.51    106.122      54.0658   -73.8784     88.943    -73.8784     
1 1 1 -28 4  11 o 12 37.6124      1.52568     916.218   83.8123      2311.82   83.8123      787.185   83.8123      
1 1 1 -28 4  12 o 13 19.6337      0.97344     1413.48   -84.8197     1012.64   -84.8197     73.6429   95.1803      
1 1 1 -28 4  13 o 10 8.98836      0.625482    935.819   -2.6598      408.326   -2.6598      192.554   177.34       
1 1 1 -28 4  14 o 11 9.28386      0.68115     520.311   -38.8169     451.183   -38.8169     3.11944   141.183      
1 1 1 -28 4  15 o 11 10.6977      0.658695    997.598   170.881      498.123   170.881      200.87    -9.11884     
1 1 1 -28 4  16 o 12 35           1.46262     968.23    -120.42      2156.98   -120.42      638.835   -120.42      
1 1 1 -28 4  17 o 5  3.96892      0.392722    115.4     -0.114589    50.8963   -0.114589    26.6798   179.885      
1 1 1 -28 4  18 o 4  2.32853      0.338556    456.332   163.769      26.3052   163.769      193.179   -16.231      
1 1 1 -28 4  19 f 0  10.7552      0.827606    336.11    -106.588     1060.43   -106.588     376.361   -106.588     
1 1 1 -28 4  20 o 6  4.32805      0.468819    444.17    115.722      517.631   115.722      56.6694   115.722      
1 1 1 -28 4  21 o 2  2.67708      0.479152    602.44    -120.036     ?         ?            ?         ?            
1 1 1 -28 4  22 o 7  7.35287      0.553988    466.515   -29.8827     ?         ?            ?         ?            
1 1 1 -28 4  23 o 15 3.80769      0.439094    703.161   154.338      ?         ?            ?         ?            
1 1 1 -28 6  1  o 16 56.52        2.33508     1477.96   19.8188      2744.73   19.8188      767.571   19.8188      
1 1 1 -28 6  2  o 11 23.9016      1.24802     1718.33   -17.9094     1121.26   -17.9094     142.549   162.091      
1 1 1 -28 6  3  o 6  1.5126       0.243047    1003.18   80.9237      529.981   -99.0763     674.75    -99.0763     
1 1 1 -28 6  4  o 6  0.901563     0.258824    445.477   -177.751     ?         ?            ?         ?            
1 1 1 -28 6  5  f 0  4.92581      0.405514    504.458   26.8425      195.323   26.8425      106.605   -153.158     
1 1 1 -28 6  6  o 12 1.50185      0.320179    389.674   83.9049      ?         ?            ?         ?            
1 1 1 -28 6  7  o 4  22.8106      1.0847      1493.57   68.5788      1183.39   68.5788      7.16746   -111.421     
1 1 1 -28 6  8  o 6  43.9846      1.46177     1536.5    43.9789      2255.18   43.9789      511.697   43.9789      
1 1 1 -28 6  9  o 19 12.7604      0.754558    904.49    -54.3697     565.345   -54.3697     82.4205   125.63       
1 1 1 -28 6  10 o 7  35.7426      1.44347     1179.61   153.076      2013.1    153.076      522.351   153.076      
1 1 1 -28 6  11 o 11 32.7774      1.64845     1616.23   26.5399      1347.05   26.5399      7.63019   -153.46      
1 1 1 -28 6  12 o 3  89.9173      2.62865     2484.35   -156.067     2945.07   -156.067     392.258   -156.067     
1 1 1 -28 6  13 o 16 10.0072      0.8158      172.873   122.232      187.953   122.232      16.7233   122.232      
1 1 1 -28 6  14 o 7  8.04354      0.761711    213.393   155.202      193.616   155.202      0.0462626 155.202      
1 1 1 -28 6  15 o 6  28.7116      1.29412     882.992   151.736      1832.46   151.736      515.809   151.736      
1 1 1 -28 6  16 o 13 3.87264      0.565528    495.725   98.3538      193.541   98.3538      126.922   -81.6462     
1 1 1 -28 6  17 o 18 6.28517      0.819834    1035.04   -111.96      247.185   -111.96      345.267   68.04        
1 1 1 -28 6  18 o 10 0.0658453    0.264017    215.93    174.651      179.312   -5.34894     188.615   -5.34894     
1 1 1 -28 6  19 o 2  1.78638      0.37355     595.714   82.4732      57.4071   -97.5268     299.292   -97.5268     
1 1 1 -28 6  20 o 13 11.5594      0.777352    359.11    61.0919      ?         ?            ?         ?            
1 1 1 -28 6  21 o 19 5.81612      0.513726    291.871   -162.403     ?         ?            ?         ?            
1 1 1 -28 6  22 o 8  3.22982      0.403412    266.045   16.7345      ?         ?            ?         ?            
1 1 1 -28 6  23 o 2  0.86132      0.397019    170.977   50.3538      ?         ?            ?         ?            
1 1 1 -28 8  1  o 13 69.273       2.349       1749.42   46.6211      3055.78   46.6211      822.886   46.6211      
1 1 1 -28 8  2  o 2  10.1711      0.986725    719.642   49.0167      581.749   49.0167      0.869024  49.0167      
1 1 1 -28 8  3  o 8  25.0013      1.22816     1743.56   52.5039      1057.75   52.5039      174.764   -127.496     
1 1 1 -28 8  4  o 13 6.52261      0.444622    1400.79   -25.3964     746.868   154.604      940.628   154.604      
1 1 1 -28 8  5  o 15 3.87516      0.722751    885.056   -170.02      113.114   9.98007      417.102   9.98007      
1 1 1 -28 8  6  f 0  3.02664      0.379661    1070.44   141.664      686.531   -38.3363     783.623   -38.3363     
1 1 1 -28 8  7  o 19 0.608739     0.256264    214.916   -106.654     ?         ?            ?         ?            
1 1 1 -28 8  8  o 10 2.73227      0.4265      576.071   69.3351      173.91    -110.665     331.931   -110.665     
1 1 1 -28 8  9  o 1  1.08389      0.289587    337.807   -31.8317     ?         ?            ?         ?            
1 1 1 -28 8  10 o 9  22.0364      0.927174    1420.51   93.1454      1110.28   93.1454      75.4278   -86.8546     
1 1 1 -28 8  11 o 17 1.60358      0.321581    714.252   35.0821      609.88    -144.918     627.063   -144.918     
1 1 1 -28 8  12 o 19 7.84137      0.530556    1018.85   -167.824     176.832   -167.824     374.192   12.1759      
1 1 1 -28 8  13 o 1  18.1098      0.925212    1244.79   -122.166     1007.11   -122.166     60.5458   57.8335      
1 1 1 -28 8  14 o 14 8.10756      0.550506    815.987   10.0231      599.069   10.0231      68.6854   -169.977     
1 1 1 -28 8  15 o 15 9.65785      0.840742    499.318   -148.81      925.976   -148.81      237.106   -148.81      
1 1 1 -28 8  16 f 0  2.11438      0.404646    310.823   -142.034     75.4462   -142.034     104.361   37.9661      
1 1 1 -28 8  17 o 3  6.10996      0.53503     463.993   -163.842     685.691   -163.842     130.401   -163.842     
1 1 1 -28 8  18 o 7  3.09183      0.431332    797.702   -35.1293     137.083   -35.1293     284.707   144.871      
1 1 1 -28 8  19 o 19 1.39357      0.42959     350.026   69.5944      ?         ?            ?         ?            
1 1 1 -28 8  20 o 15 0.859078     0.309325    82.0486   37.2582      ?         ?            ?         ?            
1 1 1 -28 8  21 o 17 0.199506     0.33817     142.284   -51.6522     ?         ?            ?         ?            
1 1 1 -28 10 1  o 4  16.0262      0.776159    845.237   -60.237      1033.23   -60.237      142.675   -60.237      
1 1 1 -28 10 2  o 16 15.38        1.04434     652.377   -151.218     868.648   -151.218     145.718   -151.218     
1 1 1 -28 10 3  o 3  29.6342      3.49642     1286.18   171.294      1599.39   171.294      229.364   171.294      
1 1 1 -28 10 4  o 16 12.8744      0.749718    585.534   -153.979     819.793   -153.979     149.108   -153.979     
1 1 1 -28 10 5  o 18 11.8916      0.77992     1276.86   70.8339      516.823   70.8339      313.586   -109.166     
1 1 1 -28 10 6  o 4  6.64274      0.530398    710.037   -124.095     162.597   55.9049      401.321   55.9049      
1 1 1 -28 10 7  o 17 6.88767      0.517191    614.202   4.56835      80.83     4.56835      237.796   -175.432     
1 1 1 -28 10 8  o 8  2.44443      0.388086    506.082   56.2949      ?         ?            ?         ?            
1 1 1 -28 10 9  o 13 0.200724     0.263746    140.862   17.9153      ?         ?            ?         ?            
1 1 1 -28 10 10 o 6  3.44016      0.401608    363.97    102.487      17.6121   102.487      155.826   -77.5126     
1 1 1 -28 10 11 o 8  3.81955      0.421172    701.027   13.0633      139.197   13.0633      246.682   -166.937     
1 1 1 -28 10 12 o 14 4.52961      0.523598    637.723   49.9901      282.653   49.9901      146.938   -130.01      
1 1 1 -28 10 13 o 9  1.50374      0.580327    165.852   7.14213      100.633   -172.858     125.863   -172.858     
1 1 1 -28 10 14 o 7  5.69906      0.487599    596.569   38.0956      527.941   38.0956      9.73479   -141.904     
1 1 1 -28 10 15 o 13 1.7486       0.357716    236.563   -63.152      94.3074   -63.152      60.4365   116.848      
1 1 1 -28 10 16 o 7  0.632646     0.278742    208.191   90.6185      68.4953   -89.3815     125.324   -89.3815     
1 1 1 -28 10 17 o 5  1.29533      0.330742    181.771   76.7747      ?         ?            ?         ?            
1 1 1 -28 10 18 o 12 0.30698      0.266633    398.647   93.2926      ?         ?            ?         ?            
1 1 1 -28 10 19 o 7  3.42394      0.528115    386.448   102.783      ?         ?            ?         ?            
1 1 1 -28 12 1  o 7  18.4185      1.07902     1047.42   48.3334      1256.59   48.3334      155.515   48.3334      
1 1 1 -28 12 2  o 6  2.39571      0.385635    552.533   -90.9629     355.714   89.0371      427.258   89.0371      
1 1 1 -28 12 3  o 14 12.7215      0.927717    1357.78   -126.789     523.882   -126.789     350.801   53.2112      
1 1 1 -28 12 4  o 7  3.58878      0.449896    426.719   139.945      164.811   139.945      110.113   -40.0554     
1 1 1 -28 12 5  o 14 4.84836      0.567504    1116.25   7.54797      270.041   -172.452     638.619   -172.452     
1 1 1 -28 12 6  o 4  13.6449      0.752251    919.128   -116.877     1023.69   -116.877     96.8499   -116.877     
1 1 1 -28 12 7  o 2  1.64278      0.340061    398.341   141.345      125.654   -38.6547     243.094   -38.6547     
1 1 1 -28 12 8  o 9  8.66263      0.664933    996.968   71.8284      584.455   71.8284      160.859   -108.172     
1 1 1 -28 12 9  o 18 1.20448      0.326777    249.644   -112.784     178.045   67.2156      203.108   67.2156      
1 1 1 -28 12 10 o 3  4.35081      0.569661    783.914   117.923      287.714   117.923      215.811   -62.0773     
1 1 1 -28 12 11 o 6  1.24399      0.394473    211.983   -84.2288     8.16143   95.7712      100.998   95.7712      
1 1 1 -28 12 12 o 14 3.90931      0.511979    348.306   3.94542      497.29    3.94542      92.3415   3.94542      
1 1 1 -28 12 13 o 5  1.86636      0.378924    311.307   -171.311     200.033   -171.311     34.545    8.68858      
1 1 1 -28 12 14 o 6  0.785183     0.359856    311.01    106.138      34.5493   -73.8616     145.442   -73.8616     
1 1 1 -28 12 15 o 4  1.29384      0.31185     155.794   -139.612     ?         ?            ?         ?            
1 1 1 -28 12 16 o 14 0.152738     0.348137    193.888   49.5319      ?         ?            ?         ?            
1 1 1 -28 12 17 o 12 1.26564      0.793254    185.591   -90.5888     ?         ?            ?         ?            
1 1 1 -28 14 1  o 6  0.69206      0.463743    259.065   -37.268      124.845   142.732      180.035   142.732      
1 1 1 -28 14 2  o 14 0.871139     0.355555    313.479   159.056      115.909   -20.9444     200.274   -20.9444     
1 1 1 -28 14 3  o 7  0.542467     0.342042    526.389   166.1        317.766   -13.9002     397.412   -13.9002     
1 1 1 -28 14 4  o 9  0.326908     0.357883    444.737   74.1918      346.855   -105.808     374.087   -105.808     
1 1 1 -28 14 5  o 6  0.25123      0.413263    238.459   13.2538      192.491   -166.746     203.009   -166.746     
1 1 1 -28 14 6  o 11 1.81094      0.417351    407.281   -116.246     156.67    -116.246     101.771   63.7543      
1 1 1 -28 14 7  o 13 1.79145      0.361223    701.915   -164.001     57.0044   15.9986      333.308   15.9986      
1 1 1 -28 14 8  o 14 0.793986     0.368602    355.854   -47.2919     138.157   132.708      219.936   132.708      
1 1 1 -28 14 9  o 3  0.0970708    0.264741    87.3927   35.5863      54.6392   -144.414     63.3602   -144.414     
1 1 1 -28 14 10 o 4  1.39296      0.334454    443.493   -59.0324     138.693   -59.0324     108.905   120.968      
1 1 1 -28 14 11 o 19 0.98035      0.432571    298.8     107.177      ?         ?            ?         ?            
1 1 1 -28 14 12 o 11 0.537778     0.280727    209.73    -18.6646     ?         ?            ?         ?            
1 1 1 -28 14 13 f 0  0.803685     0.392825    583.375   -169.969     ?         ?            ?         ?            
1 1 1 -28 16 1  o 17 1.28893      0.435655    452.47    10.134       139.924   10.134       105.364   -169.866     
1 1 1 -28 16 2  o 14 0.286661     0.342409    334.757   112.064      93.4656   -67.9363     176.451   -67.9363     
1 1 1 -28 16 3  o 6  1.23383      0.401656    249.996   -151.012     194.842   -151.012     0.742837  -151.012     
1 1 1 -28 16 4  o 17 0.657153     0.360563    182.679   35.7003      39.916    35.7003      50.369    -144.3       
1 1 1 -28 16 5  o 18 0.183642     0.350557    345.942   -0.316091    ?         ?            ?         ?            
1 1 1 -28 16 6  o 16 0.323603     0.619383    164.67    -143.372     ?         ?            ?         ?            
1 1 1 -28 16 7  o 6  1.19944      0.426577    319.212   164.119      ?         ?            ?         ?            
1 1 1 -27 1  1  o 16 37.1989      1.31098     1354.36   -131.025     1622.38   -131.025     228.288   -131.025     
1 1 1 -27 1  2  o 15 21.6841      0.814235    217.004   173.353      159.134   173.353      13.8228   -6.64701     
1 1 1 -27 1  3  o 7  89.5117      2.88946     1998.01   94.2369      3200.86   94.2369      742.088   94.2369      
1 1 1 -27 1  4  o 7  60.3608      2.10132     2129.98   -155.126     2194.42   -155.126     184.887   -155.126     
1 1 1 -27 1  5  o 1  17.1415      0.913885    1139.58   -45.7111     587.045   -45.7111     192.878   134.289      
1 1 1 -27 1  6  o 12 55.9527      1.85226     1390.83   103.352      2567      103.352      692.093   103.352      
1 1 1 -27 1  7  o 12 22.0491      0.946156    1426.34   23.6769      807.561   23.6769      199.888   -156.323     
1 1 1 -27 1  8  o 14 15.4776      0.942144    1003.3    8.31355      874.796   8.31355      15.8507   8.31355      
1 1 1 -27 1  9  o 13 27.566       1.14791     1368.44   179.78       1250.59   179.78       56.9149   179.78       
1 1 1 -27 1  10 o 14 9.96187      0.767192    1205.73   107.253      472.874   107.253      256.714   -72.7466     
1 1 1 -27 1  11 o 10 10.034       0.761745    1065.7    5.47436      294.85    5.47436      282.041   -174.526     
1 1 1 -27 1  12 o 15 15.5572      0.969774    870.081   110.249      562.349   110.249      67.427    -69.7505     
1 1 1 -27 1  13 o 4  4.09861      0.37901     358.826   84.4585      ?         ?            ?         ?            
1 1 1 -27 1  14 o 18 8.30132      0.510344    582.068   -61.0621     270.072   -61.0621     108.416   118.938      
1 1 1 -27 1  15 o 18 11.3632      0.655805    1143.96   174.03       310.664   174.03       343.008   -5.97046     
1 1 1 -27 1  16 o 11 32.5113      1.36711     1471.96   75.3766      1632.77   75.3766      154.458   75.3766      
1 1 1 -27 1  17 o 15 6.24702      0.545821    672.449   54.8635      319.884   54.8635      145.434   -125.137     
1 1 1 -27 1  18 o 9  7.37334      0.686926    499.956   -33.1815     476.785   -33.1815     12.5496   -33.1815     
1 1 1 -27 1  19 o 11 6.22889      0.561776    395.435   76.3876      510.288   76.3876      76.2518   76.3876      
1 1 1 -27 1  20 o 3  24.8277      1.00801     718.223   -65.0301     1947.01   -65.0301     644.365   -65.0301     
1 1 1 -27 1  21 o 1  3.44207      0.468113    533.38    -10.1951     358.423   -10.1951     62.1294   169.805      
1 1 1 -27 1  22 o 2  9.59746      0.589538    601.941   2.57571      ?         ?            ?         ?            
1 1 1 -27 1  23 o 15 16.1284      0.830865    642.824   -113.502     ?         ?            ?         ?            
1 1 1 -27 1  24 o 13 0.772645     0.304103    108.818   1.87252      ?         ?            ?         ?            
1 1 1 -27 3  1  o 14 5.45136      0.946242    300.163   -153.235     156.042   26.7651      205.95    26.7651      
1 1 1 -27 3  2  o 9  25.0216      1.06588     2460.94   -97.4586     140.613   -97.4586     978.506   82.5414      
1 1 1 -27 3  3  o 16 40.1731      1.59411     808.239   159.321      2072.3    159.321      692.023   159.321      
1 1 1 -27 3  4  o 5  60.4711      1.96754     2630.2    30.9409      1848.88   30.9409      193.405   -149.059     
1 1 1 -27 3  5  o 8  12.6699      0.750445    825.735   -162.963     476.718   -162.963     111.608   17.0374      
1 1 1 -27 3  6  o 1  32.0367      1.34548     1490.91   145.198      1599.55   145.198      170.582   145.198      
1 1 1 -27 3  7  o 7  19.7999      1.19634     1479.56   73.5284      872.709   73.5284      183.836   -106.472     
1 1 1 -27 3  8  o 5  7.73426      0.524894    897.675   -153.15      240.764   -153.15      252.047   26.8502      
1 1 1 -27 3  9  o 10 19.5247      1.00434     1469.45   -143.146     888.644   -143.146     157.136   36.8543      
1 1 1 -27 3  10 o 11 17.9676      0.883916    654.732   -70.2708     996.337   -70.2708     233.832   -70.2708     
1 1 1 -27 3  11 o 14 39.3958      1.64317     2063.98   34.1216      1583.46   34.1216      35.2446   -145.878     
1 1 1 -27 3  12 o 2  66.3072      2.12186     2640.6    77.2978      2234.43   77.2978      52.7538   77.2978      
1 1 1 -27 3  13 o 10 26.7391      1.21354     1792.8    -74.3989     1144.1    -74.3989     168.154   105.601      
1 1 1 -27 3  14 o 19 38.5402      1.6584      1336.98   52.7762      1971.17   52.7762      412.674   52.7762      
1 1 1 -27 3  15 o 9  49.5003      1.80458     1014.79   110.471      2447.78   110.471      772.952   110.471      
1 1 1 -27 3  16 o 4  2.12962      0.344213    521.442   -134.726     ?         ?            ?         ?            
1 1 1 -27 3  17 o 4  7.96442      0.531212    684.146   -38.8933     286.382   -38.8933     166.892   141.107      
1 1 1 -27 3  18 o 19 0.801979     0.299362    272.265   75.769       177.794   -104.231     211.723   -104.231     
1 1 1 -27 3  19 o 16 11.1724      0.671058    950.47    63.9875      849.736   63.9875      7.46327   -116.013     
1 1 1 -27 3  20 o 15 7.89165      0.66979     515.361   -94.8206     873.132   -94.8206     200.179   -94.8206     
1 1 1 -27 3  21 o 11 17.3505      0.894482    1097.24   95.7859      1263.55   95.7859      145.596   95.7859      
1 1 1 -27 3  22 o 8  1.50615      0.351165    535.098   -138.763     ?         ?            ?         ?            
1 1 1 -27 3  23 o 7  2.06001      0.442757    188.69    -121.722     ?         ?            ?         ?            
1 1 1 -27 3  24 o 19 2.22116      0.432272    8.52255   -133.639     ?         ?            ?         ?            
1 1 1 -27 5  1  o 4  10.1325      0.841837    1238.58   177.533      349.271   177.533      344.489   -2.46715     
1 1 1 -27 5  2  o 1  3.79526      0.45776     439.694   -165.229     ?         ?            ?         ?            
1 1 1 -27 5  3  o 15 5.34181      0.434538    357.335   -139.635     60.4839   40.365       179.759   40.365       
1 1 1 -27 5  4  o 11 5.05589      0.469372    337.787   38.1668      1.21445   -141.833     141.467   -141.833     
1 1 1 -27 5  5  o 10 2.98935      0.37796     291.764   -4.35227     177.118   175.648      209.565   175.648      
1 1 1 -27 5  6  o 14 6.79733      0.408183    678.979   -30.7419     224.569   -30.7419     167.146   149.258      
1 1 1 -27 5  7  o 16 21.0164      0.90809     1770.59   -73.1886     797.362   -73.1886     323.024   106.811      
1 1 1 -27 5  8  o 17 2.12074      0.297896    242.2     41.7575      55.6781   -138.243     125.593   -138.243     
1 1 1 -27 5  9  o 16 2.72051      0.370955    857.229   91.2674      406.222   -88.7326     546.782   -88.7326     
1 1 1 -27 5  10 o 8  5.39684      0.406829    416.648   -44.5675     122.829   -44.5675     105.836   135.433      
1 1 1 -27 5  11 o 15 0.677306     0.271807    251.894   -76.1788     ?         ?            ?         ?            
1 1 1 -27 5  12 o 8  63.1037      2.59506     2377.31   33.7104      2065.22   33.7104      38.6785   33.7104      
1 1 1 -27 5  13 o 4  11.3691      0.697066    784.89    -51.3476     443.389   -51.3476     118.067   128.652      
1 1 1 -27 5  14 o 17 9.49048      0.670349    872.527   96.2334      453.713   96.2334      162.716   -83.7666     
1 1 1 -27 5  15 o 7  42.8999      1.86397     1206.66   52.8532      2288.58   52.8532      596.968   52.8532      
1 1 1 -27 5  16 f 0  2.00755      0.357649    734.432   -127.212     268.963   52.7878      467.322   52.7878      
1 1 1 -27 5  17 o 15 4.60974      0.419936    484.459   70.9474      250.92    70.9474      93.0927   -109.053     
1 1 1 -27 5  18 o 7  2.222        0.449918    339.715   -147.204     25.4088   -147.204     141.605   32.7961      
1 1 1 -27 5  19 o 13 5.09131      0.464938    146.425   136.668      348.294   136.668      106.957   136.668      
1 1 1 -27 5  20 o 12 20.0349      1.01519     794.261   -94.0895     1669.24   -94.0895     478.666   -94.0895     
1 1 1 -27 5  21 o 17 1.31652      0.314047    226.64    96.8994      ?         ?            ?         ?            
1 1 1 -27 5  22 o 1  1.28096      0.312025    643.282   112.285      ?         ?            ?         ?            
1 1 1 -27 5  23 o 12 9.01633      0.727918    409.342   -82.7251     ?         ?            ?         ?            
1 1 1 -27 7  1  o 14 46.2888      1.53201     2826.24   -91.8031     1339.85   -91.8031     468.301   88.1969      
1 1 1 -27 7  2  o 14 12.5856      0.553246    1013.06   37.0858      687.042   37.0858      64.457    -142.914     
1 1 1 -27 7  3  o 1  3.28013      0.461832    890.076   -140.263     226.972   39.7372      471.516   39.7372      
1 1 1 -27 7  4  o 2  11.9563      0.658069    990.032   -132.893     330.948   -132.893     232.007   47.1074      
1 1 1 -27 7  5  o 12 1.03405      0.230861    694.521   -42.228      ?         ?            ?         ?            
1 1 1 -27 7  6  o 19 18.0456      0.886108    1000.61   82.3825      1216.1    82.3825      207.088   82.3825      
1 1 1 -27 7  7  o 17 5.04503      0.427003    605.14    150.927      110.955   150.927      187.866   -29.0727     
1 1 1 -27 7  8  o 2  12.6847      0.807092    878.616   -44.0757     696.506   -44.0757     8.43377   135.924      
1 1 1 -27 7  9  o 16 1.41243      0.351736    685.395   125.824      ?         ?            ?         ?            
1 1 1 -27 7  10 o 9  65.1413      1.94512     2316.75   -9.43631     2322.17   -9.43631     180.604   -9.43631     
1 1 1 -27 7  11 o 2  13.4423      0.826219    733.778   30.6085      764.603   30.6085      62.8822   30.6085      
1 1 1 -27 7  12 o 15 49.6656      1.92386     1179.21   56.5879      2610.57   56.5879      778.917   56.5879      
1 1 1 -27 7  13 o 1  21.3828      1.04431     378.509   -23.0055     1323.03   -23.0055     490.044   -23.0055     
1 1 1 -27 7  14 o 3  9.1769       0.637179    656.47    106.574      602.048   106.574      3.09371   106.574      
1 1 1 -27 7  15 o 8  27.494       1.21187     574.136   -31.3605     2045.04   -31.3605     763.234   -31.3605     
1 1 1 -27 7  16 o 14 18.7311      0.962089    652.926   -155.598     1561.53   -155.598     485.714   -155.598     
1 1 1 -27 7  17 o 2  7.19349      0.507203    756.683   36.8622      404.525   36.8622      143.349   -143.138     
1 1 1 -27 7  18 o 1  0.0182911    0.31407     228.032   -57.873      ?         ?            ?         ?            
1 1 1 -27 7  19 o 5  1.04104      0.371673    128.678   -66.6277     18.5891   113.372      66.0856   113.372      
1 1 1 -27 7  20 o 13 5.21468      0.494572    505.916   89.6915      ?         ?            ?         ?            
1 1 1 -27 7  21 o 10 1.46915      0.328819    226.868   26.5616      ?         ?            ?         ?            
1 1 1 -27 7  22 o 16 -0.00739934  0.323419    110.104   32.7027      ?         ?            ?         ?            
1 1 1 -27 9  1  o 15 4.05312      0.678364    292.334   96.7351      239.043   -83.2649     241.053   -83.2649     
1 1 1 -27 9  2  o 13 20.7484      1.10924     1366.34   -120.241     1072.19   -120.241     31.9972   59.7594      
1 1 1 -27 9  3  o 2  4.60382      0.417966    798.168   170.24       17.7763   -9.76019     341.785   -9.76019     
1 1 1 -27 9  4  o 18 25.166       1.49957     1275.32   -134.575     1370.96   -134.575     150.219   -134.575     
1 1 1 -27 9  5  o 6  40.4301      1.49312     2160.92   -25.1815     1557.94   -25.1815     136.748   154.818      
1 1 1 -27 9  6  o 10 3.53251      0.446818    392.191   134.057      91.9139   -45.943      214.304   -45.943      
1 1 1 -27 9  7  o 8  5.11524      0.568724    1171.79   148.503      283.297   -31.4968     652.401   -31.4968     
1 1 1 -27 9  8  o 13 5.00417      0.475191    677.332   137.583      80.6069   137.583      259.702   -42.4168     
1 1 1 -27 9  9  o 12 9.51712      0.635357    598.528   -91.8675     369.02    -91.8675     84.3262   88.1325      
1 1 1 -27 9  10 o 15 22.7274      1.07039     1611.56   -65.434      966.317   -65.434      247.144   114.566      
1 1 1 -27 9  11 o 4  13.7445      0.732098    1481.12   72.2004      439.407   72.2004      452.829   -107.8       
1 1 1 -27 9  12 o 7  2.28773      0.371698    252.866   110.818      41.3188   -69.1823     135.095   -69.1823     
1 1 1 -27 9  13 o 2  1.47113      0.332052    366.877   113.02       144.668   -66.9803     237.846   -66.9803     
1 1 1 -27 9  14 o 17 4.07387      0.60338     351.844   24.4283      173.177   24.4283      72.7077   -155.572     
1 1 1 -27 9  15 o 10 15.838       0.837212    1048.71   -116.191     1091.91   -116.191     66.4271   -116.191     
1 1 1 -27 9  16 o 4  1.8359       0.37428     187.096   92.5476      57.0781   92.5476      57.1592   -87.4524     
1 1 1 -27 9  17 o 12 0.687908     0.289924    163.011   -146.657     76.466    33.3428      110.765   33.3428      
1 1 1 -27 9  18 o 15 2.32087      0.373399    324.757   2.15857      304.91    2.15857      16.5388   2.15857      
1 1 1 -27 9  19 o 2  9.65293      0.638128    718.979   3.29299      ?         ?            ?         ?            
1 1 1 -27 9  20 o 18 1.22922      0.484369    91.528    -147.304     ?         ?            ?         ?            
1 1 1 -27 11 1  f 0  2.3409       0.412519    607.015   -14.3557     211.894   165.644      381.311   165.644      
1 1 1 -27 11 2  o 17 16.7193      1.05604     1339.93   81.9618      799.824   81.9618      207.939   -98.0382     
1 1 1 -27 11 3  o 8  15.3027      0.713353    1281.96   174.572      663.968   174.572      249.81    -5.42842     
1 1 1 -27 11 4  o 1  4.27195      0.645532    621.297   -101.104     5.60652   78.8958      284.911   78.8958      
1 1 1 -27 11 5  o 15 9.42051      0.614321    384.46    -85.6252     525.979   -85.6252     88.3996   -85.6252     
1 1 1 -27 11 6  o 17 7.44456      0.604884    503.958   8.916        494.17    8.916        18.4054   8.916        
1 1 1 -27 11 7  o 18 4.039        0.565353    629.542   81.0581      119.493   81.0581      225.388   -98.9419     
1 1 1 -27 11 8  o 16 4.70185      0.454881    745.286   -172.203     199.101   -172.203     237.187   7.79682      
1 1 1 -27 11 9  o 9  0.690582     0.303381    309.016   -88.8373     ?         ?            ?         ?            
1 1 1 -27 11 10 o 19 3.98305      0.446274    239.102   -136.856     1.94397   43.1443      109.001   43.1443      
1 1 1 -27 11 11 o 15 6.46498      0.699579    776.52    86.1364      475.549   86.1364      115.094   -93.8636     
1 1 1 -27 11 12 f 0  1.4241       0.493988    417.714   -24.7515     77.5023   155.248      230.018   155.248      
1 1 1 -27 11 13 o 11 5.26467      0.555144    372.841   -36.403      617.357   -36.403      137.805   -36.403      
1 1 1 -27 11 14 o 7  0.554169     0.335137    97.4549   -170.064     58.8698   9.93615      73.2757   9.93615      
1 1 1 -27 11 15 o 2  0.667515     0.364724    356.551   3.34673      ?         ?            ?         ?            
1 1 1 -27 11 16 o 2  2.39295      0.484029    453.371   -30.4821     ?         ?            ?         ?            
1 1 1 -27 11 17 o 2  0.402728     0.263742    249.403   -131.802     ?         ?            ?         ?            
1 1 1 -27 11 18 o 10 1.02513      0.374826    135.048   -43.9126     ?         ?            ?         ?            
1 1 1 -27 13 1  o 9  1.95756      0.388756    299.777   42.1141      69.957    -137.886     171.26    -137.886     
1 1 1 -27 13 2  o 7  0.237197     0.330896    369.885   -131.964     294.382   48.0357      315.349   48.0357      
1 1 1 -27 13 3  o 16 0.361951     0.350138    359.953   173.926      ?         ?            ?         ?            
1 1 1 -27 13 4  o 13 1.08595      0.426706    500.759   174.052      412.735   -5.94836     434.592   -5.94836     
1 1 1 -27 13 5  o 2  0.449531     0.312474    692.987   -135.62      ?         ?            ?         ?            
1 1 1 -27 13 6  o 13 1.75833      0.411822    220.48    47.2324      40.3382   47.2324      80.8246   -132.768     
1 1 1 -27 13 7  o 16 0.708469     0.397309    500.517   38.0422      261.65    -141.958     360.488   -141.958     
1 1 1 -27 13 8  o 11 5.66572      0.489459    1124.11   -140.594     193.07    -140.594     418.413   39.4061      
1 1 1 -27 13 9  o 8  2.48541      0.436934    786.263   130.821      9.5646    130.821      352.256   -49.1789     
1 1 1 -27 13 10 o 16 4.83822      0.548406    461.082   120.358      595.628   120.358      92.5807   120.358      
1 1 1 -27 13 11 o 7  2.11188      0.448178    266.117   -166.63      225.903   -166.63      1.68284   13.3696      
1 1 1 -27 13 12 o 17 0.920211     0.28082     426.586   -160.434     33.0038   19.5658      193.013   19.5658      
1 1 1 -27 13 13 o 12 1.45364      0.392521    501.033   19.8412      133.496   19.8412      133.543   -160.159     
1 1 1 -27 13 14 o 4  0.579183     0.351209    398.764   -139.676     ?         ?            ?         ?            
1 1 1 -27 13 15 o 12 0.380135     0.343886    343.718   52.8711      ?         ?            ?         ?            
1 1 1 -27 13 16 o 9  1.09906      0.690669    311.41    -177.822     ?         ?            ?         ?            
1 1 1 -27 15 1  o 2  4.58184      0.559188    560.617   -60.3673     542.408   -60.3673     37.549    -60.3673     
1 1 1 -27 15 2  o 8  0.588983     0.356442    21.7911   131.676      10.2202   -48.3237     14.1909   -48.3237     
1 1 1 -27 15 3  f 0  2.99922      0.453042    169.165   152.297      373.502   152.297      116.541   152.297      
1 1 1 -27 15 4  o 1  1.20268      0.382777    274.337   -160.174     104.909   -160.174     60.5338   19.8256      
1 1 1 -27 15 5  o 18 1.79671      0.562978    55.2786   -85.9761     72.1718   -85.9761     13.56     -85.9761     
1 1 1 -27 15 6  o 7  5.46419      0.556954    778.574   57.2363      590.955   57.2363      17.9186   -122.764     
1 1 1 -27 15 7  o 1  0.108032     0.299634    334.409   158.8        193.894   -21.1995     229.959   -21.1995     
1 1 1 -27 15 8  o 18 0.0596908    0.268532    298.836   -126.164     176.812   53.8356      206.09    53.8356      
1 1 1 -27 15 9  o 13 0.723064     0.342657    577.317   -143.426     ?         ?            ?         ?            
1 1 1 -27 15 10 o 1  1.33672      0.457362    350.022   59.9156      ?         ?            ?         ?            
1 1 1 -27 15 11 o 16 0.702238     0.460103    129.632   28.6794      ?         ?            ?         ?            
1 1 1 -26 0  1  o 7  427.158      14.0185     5100.01   0            7088.25   0            1332.56   0            
1 1 1 -26 0  2  o 11 209.44       7.92774     2984.73   180          5366.36   180          1389.19   180          
1 1 1 -26 0  3  o 5  219.179      9.02623     3193.51   180          5463.85   180          1351.06   180          
1 1 1 -26 0  4  o 11 46.676       2.56684     1417.87   0            2321.94   0            550.514   0            
1 1 1 -26 0  5  o 16 307.961      10.5481     4059.17   180          6303.23   180          1412.46   180          
1 1 1 -26 0  6  o 6  13.3042      1.06762     1544.89   180          426.559   180          445.569   1.37341e-14  
1 1 1 -26 0  7  o 9  4.25514      0.493467    172.054   180          53.6044   1.21042e-14  99.8396   3.2494e-15   
1 1 1 -26 0  8  o 16 6.22098      0.556517    523.83    0            ?         ?            ?         ?            
1 1 1 -26 0  9  < 3  -0.450906    0.059421    524.487   180          ?         ?            ?         ?            
1 1 1 -26 0  10 f 0  41.9373      2.74751     1383.24   0            2369.44   0            615.692   0            
1 1 1 -26 0  11 o 1  26.9018      1.86136     1342.38   0            1792.56   0            353.084   0            
1 1 1 -26 0  12 o 5  0.892252     0.311047    693.996   0            411.513   180          483.852   180          
1 1 1 -26 0  13 o 12 2.96782      0.410524    228.102   0            21.0646   180          102.559   180          
1 1 1 -26 0  14 o 12 0.314718     0.335297    231.239   180          ?         ?            ?         ?            
1 1 1 -26 0  15 o 3  46.3419      2.13038     1074.93   0            2848.75   0            959.907   0            
1 1 1 -26 0  16 o 4  0.622493     0.286878    143.121   0            120.584   180          124.37    180          
1 1 1 -26 0  17 o 3  97.7244      7.5535      1749.34   0            3809.72   0            1110.54   0            
1 1 1 -26 0  18 o 18 4.81556      0.66806     248.547   0            184.104   0            20.3287   180          
1 1 1 -26 0  19 o 12 2.28336      0.475803    242.608   0            1.17825   180          110.207   180          
1 1 1 -26 0  20 o 16 1.32607      0.61187     326.354   0            117.066   180          207.885   180          
1 1 1 -26 0  21 o 11 3.3401       0.824698    610.838   180          366.075   180          94.6309   3.41605e-14  
1 1 1 -26 0  22 f 0  1.6645       0.503138    305.084   180          ?         ?            ?         ?            
1 1 1 -26 0  23 o 6  4.67894      0.630712    403.898   180          ?         ?            ?         ?            
1 1 1 -26 0  24 o 10 3.08347      0.796133    481.525   180          ?         ?            ?         ?            
1 1 1 -26 2  1  o 11 89.9933      2.62118     2743.7    17.498       2581.75   17.498       110.741   17.498       
1 1 1 -26 2  2  o 6  71.7284      2.41639     2107.61   -77.948      2434.37   -77.948      310.798   -77.948      
1 1 1 -26 2  3  o 6  80.5951      3.04053     2087.75   -121.275     2715.18   -121.275     461.337   -121.275     
1 1 1 -26 2  4  o 16 10.8205      1.62964     386.363   70.7255      174.92    -109.275     252.84    -109.275     
1 1 1 -26 2  5  o 7  4.83536      0.304428    157.045   39.8253      54.2286   -140.175     94.1068   -140.175     
1 1 1 -26 2  6  o 11 6.7375       0.481398    1606.45   -3.60644     488.413   176.394      926.926   176.394      
1 1 1 -26 2  7  o 2  3.08241      0.427453    445.912   -156.068     281.106   23.9316      329.144   23.9316      
1 1 1 -26 2  8  o 12 22.3892      1.04554     1187.06   144.15       1192.46   144.15       97.9919   144.15       
1 1 1 -26 2  9  o 17 35.4916      1.59897     1081.37   8.07897      2065.36   8.07897      584.18    8.07897      
1 1 1 -26 2  10 o 16 71.8293      2.48066     2614.69   149.984      2462.92   149.984      163.722   149.984      
1 1 1 -26 2  11 o 7  28.0009      1.16988     1254.35   127.131      587.486   127.131      211.206   -52.8686     
1 1 1 -26 2  12 o 12 65.9211      2.27661     1834.63   -32.4296     2612.15   -32.4296     570.845   -32.4296     
1 1 1 -26 2  13 o 15 9.86172      0.655481    599.761   -127.382     234.817   52.6184      361.033   52.6184      
1 1 1 -26 2  14 o 14 25.3178      1.49582     447.756   146.285      1455.48   146.285      539.851   146.285      
1 1 1 -26 2  15 o 8  47.279       1.88348     1239      -2.9311      2373      -2.9311      645.034   -2.9311      
1 1 1 -26 2  16 o 9  18.0064      0.915771    786.807   -5.70519     1171.87   -5.70519     231.534   -5.70519     
1 1 1 -26 2  17 o 10 14.1094      0.700995    705.603   -97.6555     873.689   -97.6555     116.448   -97.6555     
1 1 1 -26 2  18 f 0  34.9899      1.32881     1084.01   62.0381      2088.31   62.0381      554.676   62.0381      
1 1 1 -26 2  19 o 7  4.43435      0.607603    561.947   21.8597      317.765   21.8597      95.539    -158.14      
1 1 1 -26 2  20 o 18 9.99254      0.649878    763.794   -172.223     905.733   -172.223     102.634   -172.223     
1 1 1 -26 2  21 o 10 2.54986      0.346092    756.82    -20.5506     55.682    -20.5506     313.501   159.449      
1 1 1 -26 2  22 f 0  0.277387     0.297858    307.081   -78.2924     ?         ?            ?         ?            
1 1 1 -26 2  23 o 14 12.1157      0.74678     407.128   92.339       ?         ?            ?         ?            
1 1 1 -26 2  24 o 13 1.61498      0.331762    531.367   -129.217     ?         ?            ?         ?            
1 1 1 -26 4  1  o 19 13.135       0.660418    211.642   -73.4492     132.616   -73.4492     23.5559   106.551      
1 1 1 -26 4  2  o 8  37.6004      1.64949     1778.53   -170.005     1537.25   -170.005     13.5218   -170.005     
1 1 1 -26 4  3  o 15 23.3669      0.975395    708.578   -57.7174     1333.61   -57.7174     366.266   -57.7174     
1 1 1 -26 4  4  o 2  18.6316      1.12369     1436.13   99.0597      444.1     99.0597      385.84    -80.9403     
1 1 1 -26 4  5  o 3  21.1036      0.785602    1469.39   -59.792      997.154   -59.792      121.28    120.208      
1 1 1 -26 4  6  o 8  23.8299      1.19358     1215.25   164.314      1216.95   164.314      98.6235   164.314      
1 1 1 -26 4  7  o 15 21.8389      0.992148    1238.97   -150.729     1316.05   -150.729     142.55    -150.729     
1 1 1 -26 4  8  o 10 7.01281      0.461174    366.357   32.7336      296.349   32.7336      2.50124   -147.266     
1 1 1 -26 4  9  o 19 10.0153      0.59246     573.793   -33.4003     218.365   -33.4003     123.716   146.6        
1 1 1 -26 4  10 o 16 15.2927      0.762659    1357.44   -91.5122     606.178   -91.5122     242.061   88.4878      
1 1 1 -26 4  11 o 7  10.4981      0.801356    994.284   -159.44      185.285   -159.44      306.061   20.5601      
1 1 1 -26 4  12 o 12 14.6292      0.712677    1272.36   -141.341     715.067   -141.341     159.715   38.6589      
1 1 1 -26 4  13 o 5  8.00608      0.553717    960.848   90.0121      338.137   90.0121      233.351   -89.9879     
1 1 1 -26 4  14 o 6  4.38634      0.38098     211.907   43.6694      ?         ?            ?         ?            
1 1 1 -26 4  15 o 19 44.32        1.87954     1571.03   -71.9384     2080.57   -71.9384     335.426   -71.9384     
1 1 1 -26 4  16 o 12 58.496       2.13369     1584.99   109.995      2548.76   109.995      554.663   109.995      
1 1 1 -26 4  17 o 11 1.79721      0.316508    158.612   -169.684     ?         ?            ?         ?            
1 1 1 -26 4  18 o 14 1.3422       0.314118    577.806   -124.978     221.5     55.0218      371.644   55.0218      
1 1 1 -26 4  19 o 3  14.7969      0.731958    703.878   -178.832     1317.8    -178.832     337.413   -178.832     
1 1 1 -26 4  20 o 13 2.00193      0.349598    437.289   64.0079      66.2624   64.0079      166.714   -115.992     
1 1 1 -26 4  21 o 17 5.01764      0.534535    469.087   -161.142     655.812   -161.142     123.952   -161.142     
1 1 1 -26 4  22 o 11 1.54276      0.406152    195.723   101.07       ?         ?            ?         ?            
1 1 1 -26 4  23 o 16 2.36238      0.36313     366.413   4.62064      ?         ?            ?         ?            
1 1 1 -26 4  24 o 8  1.81251      0.374023    83.9241   62.126       ?         ?            ?         ?            
1 1 1 -26 6  1  o 8  37.2963      1.44704     1303.76   -162.62      1745.47   -162.62      333.9     -162.62      
1 1 1 -26 6  2  o 4  2.49889      0.266231    515.727   176.46       ?         ?            ?         ?            
1 1 1 -26 6  3  o 6  6.20737      0.411001    861.953   164.13       86.6485   164.13       312.103   -15.8699     
1 1 1 -26 6  4  o 13 7.6016       0.54153     862.258   -170.878     284.092   -170.878     212.065   9.12224      
1 1 1 -26 6  5  f 0  17.2428      0.898109    988.628   128.215      1179.04   128.215      185.908   128.215      
1 1 1 -26 6  6  o 13 3.12002      0.361254    617.707   -53.5979     53.7558   126.402      277.247   126.402      
1 1 1 -26 6  7  o 13 14.703       0.808761    1350.43   -98.376      542.617   -98.376      272.179   81.624       
1 1 1 -26 6  8  o 17 18.9505      0.840537    1806.97   -161.312     624.648   -161.312     411.747   18.6879      
1 1 1 -26 6  9  o 14 13.8404      0.738144    845.2     143.316      795.355   143.316      58.2845   143.316      
1 1 1 -26 6  10 o 8  1.06442      0.249071    449.272   138.973      ?         ?            ?         ?            
1 1 1 -26 6  11 f 0  13.8735      1.24836     1126.4    -95.3269     594.356   -95.3269     171.622   84.6731      
1 1 1 -26 6  12 o 18 44.4179      1.638       1615.02   -78.0841     2078.8    -78.0841     345.561   -78.0841     
1 1 1 -26 6  13 o 2  10.8097      0.91557     504.483   37.4441      484.601   37.4441      18.701    37.4441      
1 1 1 -26 6  14 o 4  24.581       0.995408    1147.67   -5.05735     1460.99   -5.05735     211.522   -5.05735     
1 1 1 -26 6  15 o 15 24.274       1.04124     1245.72   -75.712      1409.33   -75.712      139.152   -75.712      
1 1 1 -26 6  16 o 10 14.5712      0.68716     1115.47   3.53381      920.093   3.53381      43.7264   -176.466     
1 1 1 -26 6  17 o 2  8.39132      1.10184     645.396   89.8134      646.373   89.8134      31.4092   89.8134      
1 1 1 -26 6  18 o 10 7.85153      0.586848    677.512   28.6399      715.572   28.6399      47.8869   28.6399      
1 1 1 -26 6  19 o 19 3.73534      0.458565    577.866   -97.0408     368.433   -97.0408     79.5512   82.9592      
1 1 1 -26 6  20 o 15 2.36615      0.39246     290.751   -48.52       297.461   -48.52       22.331    -48.52       
1 1 1 -26 6  21 o 8  3.75301      0.439908    365.959   11.0198      ?         ?            ?         ?            
1 1 1 -26 6  22 o 9  2.01609      0.395614    162.703   -72.0245     ?         ?            ?         ?            
1 1 1 -26 6  23 f 0  0.617161     0.343174    94.8022   -177.471     ?         ?            ?         ?            
1 1 1 -26 8  1  o 5  2.29384      0.394525    337.437   72.1252      71.7025   -107.875     171.16    -107.875     
1 1 1 -26 8  2  f 0  23.4042      1.09464     778.929   -104.65      1623.03   -104.65      499.155   -104.65      
1 1 1 -26 8  3  o 3  3.36894      0.473517    85.3901   -58.9895     2.32545   -58.9895     33.1043   121.01       
1 1 1 -26 8  4  o 13 4.67086      0.513272    698.046   43.2801      91.7873   43.2801      234.77    -136.72      
1 1 1 -26 8  5  o 7  24.8025      1.25165     1436.15   -136.888     1362.11   -136.888     101.241   -136.888     
1 1 1 -26 8  6  o 3  1.56106      0.269377    826.107   -30.4663     568.974   149.534      620.567   149.534      
1 1 1 -26 8  7  o 3  2.76276      0.384792    293.38    -151.966     ?         ?            ?         ?            
1 1 1 -26 8  8  o 1  15.3993      0.906126    971.398   118.786      807.738   118.786      3.52352   -61.2141     
1 1 1 -26 8  9  o 11 13.3414      0.805345    1578.27   36.4901      171.042   36.4901      591.458   -143.51      
1 1 1 -26 8  10 o 16 49.7852      1.81342     2073.78   -145.436     1830.4    -145.436     4.12299   -145.436     
1 1 1 -26 8  11 o 9  11.0964      0.817483    714.809   -103.382     649.508   -103.382     4.30117   -103.382     
1 1 1 -26 8  12 o 18 8.21332      0.565078    268.245   -97.4712     239.809   -97.4712     1.72006   82.5288      
1 1 1 -26 8  13 o 4  41.2552      1.46275     1330.04   44.7454      2187.19   44.7454      490.049   44.7454      
1 1 1 -26 8  14 o 16 28.4962      1.14965     357.768   -54.2536     2015.12   -54.2536     845.96    -54.2536     
1 1 1 -26 8  15 o 1  8.2126       0.806787    468.571   7.49836      728.475   7.49836      152.621   7.49836      
1 1 1 -26 8  16 o 11 18.0884      0.943257    883.34    -74.832      1396.68   -74.832      295.641   -74.832      
1 1 1 -26 8  17 o 2  3.0248       0.428819    405.134   58.2403      285.547   58.2403      43.0645   -121.76      
1 1 1 -26 8  18 o 17 4.387        0.467875    789.104   127.287      317.929   127.287      194.064   -52.7131     
1 1 1 -26 8  19 o 9  0.198326     0.277445    471.98    -119.332     ?         ?            ?         ?            
1 1 1 -26 8  20 o 8  0.267324     0.345797    153.129   -86.6436     ?         ?            ?         ?            
1 1 1 -26 8  21 o 19 0.700534     0.366548    53.0724   -177.61      ?         ?            ?         ?            
1 1 1 -26 10 1  o 19 29.7876      1.36443     2378.23   150.687      797.134   150.687      639.294   -29.3134     
1 1 1 -26 10 2  o 7  34.1619      1.34918     1147.15   -5.59095     1884.92   -5.59095     441.709   -5.59095     
1 1 1 -26 10 3  o 2  4.35093      0.508117    760.244   8.54013      67.4644   -171.46      366.617   -171.46      
1 1 1 -26 10 4  o 16 9.04262      0.563045    1097.42   -171.957     239.23    -171.957     363.626   8.04317      
1 1 1 -26 10 5  o 16 27.725       1.22368     1283.43   -70.0663     1506.37   -70.0663     183.726   -70.0663     
1 1 1 -26 10 6  o 4  15.5005      0.924855    1451.16   -4.34709     654.311   -4.34709     322.21    175.653      
1 1 1 -26 10 7  o 13 1.45557      0.290986    418.277   -39.6593     ?         ?            ?         ?            
1 1 1 -26 10 8  o 17 1.66632      0.300108    456.625   -2.05386     264.493   177.946      339.291   177.946      
1 1 1 -26 10 9  o 19 1.54768      0.35986     149.095   109.267      108.801   -70.7325     122.107   -70.7325     
1 1 1 -26 10 10 o 9  2.40908      0.408601    330.584   139.947      51.3131   -40.0528     175.448   -40.0528     
1 1 1 -26 10 11 o 15 2.28163      0.423672    823.487   -135.684     518.985   44.3161      631.318   44.3161      
1 1 1 -26 10 12 o 1  3.01324      0.514395    450.34    93.6947      9.04174   93.6947      198.747   -86.3053     
1 1 1 -26 10 13 o 1  3.01896      0.90019     548.473   -100.313     154.608   79.687       326.372   79.687       
1 1 1 -26 10 14 o 3  2.78094      0.436487    477.613   -161.353     163.932   -161.353     136.87    18.6475      
1 1 1 -26 10 15 o 17 1.58725      0.356465    651.125   52.333       89.6232   -127.667     342.426   -127.667     
1 1 1 -26 10 16 o 14 0.546074     0.265534    203.661   -162.215     122.697   17.7846      151.553   17.7846      
1 1 1 -26 10 17 o 1  3.37073      0.423017    516.799   -91.6905     422.757   -91.6905     4.50101   88.3095      
1 1 1 -26 10 18 o 15 2.6179       0.366634    322.937   -90.1991     ?         ?            ?         ?            
1 1 1 -26 10 19 o 13 0.681026     0.521543    183.002   167.367      ?         ?            ?         ?            
1 1 1 -26 10 20 o 6  2.50867      0.406763    382.594   48.5007      ?         ?            ?         ?            
1 1 1 -26 12 1  o 8  15.7824      0.886904    804.727   -127.729     1207      -127.729     239.661   -127.729     
1 1 1 -26 12 2  o 18 0.923795     0.307344    91.0978   72.6628      67.9442   -107.337     75.1584   -107.337     
1 1 1 -26 12 3  o 14 27.0849      1.75046     691.803   34.3022      1966.63   34.3022      670.674   34.3022      
1 1 1 -26 12 4  o 19 1.67768      0.346021    921.408   166.858      372.609   -13.1422     602.415   -13.1422     
1 1 1 -26 12 5  o 4  8.28622      0.638679    833.708   173.808      480.364   173.808      136.039   -6.19196     
1 1 1 -26 12 6  o 13 14.4973      0.825103    707.224   72.883       1129.43   72.883       245.662   72.883       
1 1 1 -26 12 7  o 8  1.72338      0.316738    694.063   -160.963     404.489   19.0367      515.672   19.0367      
1 1 1 -26 12 8  o 1  11.8796      0.804396    208.001   -63.3291     876.51    -63.3291     344.03    -63.3291     
1 1 1 -26 12 9  o 17 2.17989      0.419036    230.016   -28.4048     71.4197   151.595      140.473   151.595      
1 1 1 -26 12 10 f 0  3.71597      0.474816    575.834   -60.1991     299.215   -60.1991     114.192   119.801      
1 1 1 -26 12 11 o 2  0.684646     0.384956    322.307   -145.083     219.627   34.9167      257.607   34.9167      
1 1 1 -26 12 12 o 15 10.5255      0.753498    504.534   170.862      1109.09   170.862      326.006   170.862      
1 1 1 -26 12 13 o 7  0.125313     0.290827    622.248   -99.4451     492.358   80.5549      519.109   80.5549      
1 1 1 -26 12 14 o 1  0.439158     0.414684    447.568   -9.0139      299.606   170.986      336.913   170.986      
1 1 1 -26 12 15 o 17 1.40186      0.383203    291.155   168.818      ?         ?            ?         ?            
1 1 1 -26 12 16 o 11 -0.00205262  0.214358    218.535   125.838      ?         ?            ?         ?            
1 1 1 -26 12 17 o 9  0.653484     0.445203    370.526   27.4838      ?         ?            ?         ?            
1 1 1 -26 14 1  o 14 4.18215      0.634618    880.109   165.833      207.41    165.833      298.78    -14.1667     
1 1 1 -26 14 2  o 3  0.270786     0.350604    258.147   21.6001      192.666   -158.4       214.376   -158.4       
1 1 1 -26 14 3  o 4  0.621906     0.402149    315.4     -68.1197     192.892   111.88       240.495   111.88       
1 1 1 -26 14 4  o 7  3.45769      0.532809    513.49    -85.9588     336.992   -85.9588     65.3572   94.0412      
1 1 1 -26 14 5  o 18 4.55632      0.507554    615.31    98.8573      474.267   98.8573      41.5389   -81.1427     
1 1 1 -26 14 6  o 9  4.9503       0.53634     675.607   -46.1926     500.215   -46.1926     52.8903   133.807      
1 1 1 -26 14 7  o 12 3.15194      0.476436    474.08    8.49013      315.971   8.49013      51.3063   -171.51      
1 1 1 -26 14 8  o 13 0.457803     0.30799     192.823   81.2652      105.774   -98.7348     136.094   -98.7348     
1 1 1 -26 14 9  o 14 0.917241     0.323881    273.258   -177.861     14.8657   -177.861     107.142   2.13897      
1 1 1 -26 14 10 o 15 0.908588     0.431031    229.15    -124.936     8.06884   -124.936     89.2123   55.0645      
1 1 1 -26 14 11 o 8  0.949048     0.286438    304.349   -122.343     45.2937   -122.343     98.3027   57.657       
1 1 1 -26 14 12 o 15 0.809313     0.395434    116.102   -101.005     ?         ?            ?         ?            
1 1 1 -26 14 13 o 11 0.177746     0.310497    347.975   56.7728      ?         ?            ?         ?            
1 1 1 -26 14 14 o 2  0.813183     0.344859    429.925   19.0647      ?         ?            ?         ?            
1 1 1 -26 16 1  o 16 0.376954     0.402407    273.318   149.477      54.4358   -30.5227     134.021   -30.5227     
1 1 1 -26 16 2  o 5  0.847365     0.492425    307.13    -86.3972     31.1877   -86.3972     104.407   93.6028      
1 1 1 -26 16 3  o 9  0.440825     0.340636    412.808   -70.0641     98.0704   109.936      210.073   109.936      
1 1 1 -26 16 4  o 16 0.897569     0.379823    297.63    -178.151     93.721    -178.151     68.8614   1.84888      
1 1 1 -26 16 5  o 15 0.0900271    0.131967    212.13    -125.852     161.894   54.1484      162.936   54.1484      
1 1 1 -26 16 6  o 6  1.14304      0.433118    127.011   90.4243      ?         ?            ?         ?            
1 1 1 -26 16 7  o 10 0.322468     0.332005    307.345   -58.5515     ?         ?            ?         ?            
1 1 1 -26 16 8  o 1  1.069        0.378534    300.483   -140.382     ?         ?            ?         ?            
1 1 1 -25 1  1  o 5  19.0949      0.922886    1437.73   152.418      903.348   -27.5822     1077.65   -27.5822     
1 1 1 -25 1  2  o 10 91.3178      2.62496     1785.65   -117.675     3267.78   -117.675     856.771   -117.675     
1 1 1 -25 1  3  o 19 99.8293      3.04651     2537.46   1.52418      2601.06   1.52418      199.693   1.52418      
1 1 1 -25 1  4  f 0  37.9985      1.14714     1997.13   -141.826     819.549   -141.826     452.29    38.174       
1 1 1 -25 1  5  o 8  6.52654      0.566267    879.904   26.9315      246.276   -153.068     500.809   -153.068     
1 1 1 -25 1  6  o 1  3.70366      0.283437    543.909   -123.638     214.993   56.3624      339.738   56.3624      
1 1 1 -25 1  7  o 13 126.273      4.02309     3282.49   -137.581     3236.56   -137.581     223.427   -137.581     
1 1 1 -25 1  8  o 8  28.0142      1.32648     1184.65   141.972      1598.85   141.972      299.039   141.972      
1 1 1 -25 1  9  f 0  30.8642      1.43418     583.259   -145.01      1624.79   -145.01      568.427   -145.01      
1 1 1 -25 1  10 o 10 15.802       0.751593    989.678   21.164       1033.97   21.164       109.081   21.164       
1 1 1 -25 1  11 o 11 28.332       1.21007     594.351   109.572      1986.24   109.572      752.262   109.572      
1 1 1 -25 1  12 o 2  6.493        0.61476     651.93    5.32106      349.392   5.32106      86.6212   -174.679     
1 1 1 -25 1  13 o 11 4.2651       0.378172    1027.74   74.4753      ?         ?            ?         ?            
1 1 1 -25 1  14 o 6  15.4996      0.782914    708.005   -129.615     1055.44   -129.615     234.697   -129.615     
1 1 1 -25 1  15 o 6  6.22449      0.474165    171.879   26.4902      88.9705   26.4902      29.6205   -153.51      
1 1 1 -25 1  16 o 9  4.56676      0.449098    322       101.733      23.3698   101.733      132.308   -78.2673     
1 1 1 -25 1  17 o 13 19.1923      0.899584    978.95    118.669      1230.42   118.669      170.745   118.669      
1 1 1 -25 1  18 o 16 8.42622      0.626637    471.747   42.479       632.455   42.479       102.88    42.479       
1 1 1 -25 1  19 o 1  6.02574      0.445285    746.65    -75.6637     374.256   -75.6637     150.162   104.336      
1 1 1 -25 1  20 o 2  19.1234      1.05359     978.013   96.3817      1413.4    96.3817      259.254   96.3817      
1 1 1 -25 1  21 o 10 2.021        0.350245    594.7     -169.074     14.7712   -169.074     263.123   10.9256      
1 1 1 -25 1  22 o 12 0.890053     0.33431     371.987   128.717      ?         ?            ?         ?            
1 1 1 -25 1  23 o 9  2.609        0.519129    142.286   -93.8614     ?         ?            ?         ?            
1 1 1 -25 1  24 o 17 5.66913      0.470623    278.951   53.7172      ?         ?            ?         ?            
1 1 1 -25 3  1  f 0  76.548       1.99256     2387.28   136.223      2519.93   136.223      236.871   136.223      
1 1 1 -25 3  2  o 11 73.521       2.03517     1503.36   13.1094      2866.23   13.1094      788.964   13.1094      
1 1 1 -25 3  3  o 2  47.8387      2.00962     1763      -40.011      1291.9    -40.011      108.343   139.989      
1 1 1 -25 3  4  o 19 77.4678      2.75587     2085.99   -104.801     2814.65   -104.801     516.968   -104.801     
1 1 1 -25 3  5  o 6  43.6262      1.92977     1935.3    87.3312      1208.71   87.3312      219.229   -92.6688     
1 1 1 -25 3  6  f 0  21.972       1.14155     1452.26   -56.9657     43.2398   123.034      637.334   123.034      
1 1 1 -25 3  7  f 0  20.7902      1.0587      1486.63   20.509       904.454   20.509       174.605   -159.491     
1 1 1 -25 3  8  o 9  20.9819      1.03429     1156.41   -176.152     1128.84   -176.152     81.1043   -176.152     
1 1 1 -25 3  9  o 16 26.7356      1.05999     553.073   142.222      1494.91   142.222      519.283   142.222      
1 1 1 -25 3  10 o 7  1.9658       0.249133    884.207   178.724      ?         ?            ?         ?            
1 1 1 -25 3  11 o 2  3.0398       0.3195      380.383   -141.57      ?         ?            ?         ?            
1 1 1 -25 3  12 o 15 46.2897      1.75049     1746.51   -161.404     1963.15   -161.404     280.479   -161.404     
1 1 1 -25 3  13 o 10 16.9636      0.821344    1126.97   162.533      864.625   162.533      28.5684   -17.4667     
1 1 1 -25 3  14 o 8  41.3113      1.7769      1310.49   13.9463      2195.1    13.9463      542.284   13.9463      
1 1 1 -25 3  15 o 18 7.37984      0.479316    1306.76   -151.605     78.8509   -151.605     536.494   28.395       
1 1 1 -25 3  16 o 6  11.5681      0.912879    891.934   51.2983      614.639   51.2983      95.915    -128.702     
1 1 1 -25 3  17 f 0  20.6444      0.971552    1426.85   76.5937      1003.83   76.5938      145.523   -103.406     
1 1 1 -25 3  18 o 4  5.14478      0.464904    488.021   -169.659     321.137   -169.659     59.6352   10.3407      
1 1 1 -25 3  19 o 6  5.97284      0.498806    251.387   -161.552     429.539   -161.552     100.691   -161.552     
1 1 1 -25 3  20 o 11 6.40953      0.495103    720.264   123.86       482.319   123.86       89.3485   -56.1396     
1 1 1 -25 3  21 o 5  10.1067      0.879904    680.85    -124.946     1025.88   -124.946     208.643   -124.946     
1 1 1 -25 3  22 o 9  3.65845      0.406561    368.524   -40.7984     ?         ?            ?         ?            
1 1 1 -25 3  23 o 19 7.98347      0.743746    437.684   -99.4286     ?         ?            ?         ?            
1 1 1 -25 3  24 f 0  2.10775      0.415381    362.081   44.3272      ?         ?            ?         ?            
1 1 1 -25 5  1  o 19 12.3956      0.611588    1557.36   131.633      260.947   131.633      526.64    -48.3672     
1 1 1 -25 5  2  o 13 11.9527      0.543049    447.821   -58.8213     597.842   -58.8213     110       -58.8213     
1 1 1 -25 5  3  o 12 15.0559      0.782036    608.493   43.8907      709.501   43.8907      98.4104   43.8907      
1 1 1 -25 5  4  o 2  6.566        0.476944    835.72    -168.453     167.959   -168.453     267.07    11.5471      
1 1 1 -25 5  5  o 2  3.85827      0.376557    529.914   163.306      326.377   -16.6942     384.714   -16.6942     
1 1 1 -25 5  6  o 18 55.2917      1.98352     1573.75   -139.529     2649.27   -139.529     671.501   -139.529     
1 1 1 -25 5  7  o 19 5.35997      0.50023     882.075   14.7718      169.277   -165.228     447.127   -165.228     
1 1 1 -25 5  8  o 2  10.9163      0.636131    401.731   156.242      734.044   156.242      203.814   156.242      
1 1 1 -25 5  9  o 17 22.3038      0.976736    1001.36   85.5065      1327.76   85.5065      261.173   85.5065      
1 1 1 -25 5  10 o 12 7.90268      0.558255    734.469   89.2987      407.866   89.2987      90.3302   -90.7013     
1 1 1 -25 5  11 o 14 4.79358      0.434124    472.373   -142.753     ?         ?            ?         ?            
1 1 1 -25 5  12 o 8  1.93752      0.385303    641.048   166.68       ?         ?            ?         ?            
1 1 1 -25 5  13 o 8  53.3378      1.9154      1924.69   -159.918     2206.22   -159.918     279.357   -159.918     
1 1 1 -25 5  14 o 17 90.9806      3.08988     2136.22   -95.8264     2988.44   -95.8264     547.721   -95.8264     
1 1 1 -25 5  15 o 16 28.187       1.23118     1095.93   25.5393      1625.59   25.5393      316.817   25.5393      
1 1 1 -25 5  16 o 2  18.2703      0.864577    1024.9    -69.6771     1204.83   -69.6771     137.387   -69.6771     
1 1 1 -25 5  17 o 2  7.67943      0.600262    377.144   -81.8801     607.507   -81.8801     133.555   -81.8801     
1 1 1 -25 5  18 o 12 4.71682      0.44438     460.041   -13.7546     412.77    -13.7546     2.10191   166.245      
1 1 1 -25 5  19 o 14 2.40779      0.429182    125.28    3.43576      67.725    3.43576      23.5948   -176.564     
1 1 1 -25 5  20 o 15 3.88937      0.443379    519.195   151.675      420.204   151.675      24.2876   -28.3255     
1 1 1 -25 5  21 o 17 4.10201      0.398058    589.636   -76.8453     ?         ?            ?         ?            
1 1 1 -25 5  22 o 4  4.80313      0.476202    552.458   -118.411     ?         ?            ?         ?            
1 1 1 -25 5  23 o 16 2.54859      0.480687    281.021   32.7619      ?         ?            ?         ?            
1 1 1 -25 7  1  o 13 18.8358      1.09586     653.88    113.754      1405.5    113.754      437.522   113.754      
1 1 1 -25 7  2  o 10 16.9285      0.766283    1239.04   -159.262     995.97    -159.262     4.47922   20.7378      
1 1 1 -25 7  3  o 9  3.73246      0.405343    479.303   -148.735     50.2344   -148.735     168.894   31.2651      
1 1 1 -25 7  4  o 4  4.45862      0.511515    643.275   71.5841      44.8422   -108.416     281.988   -108.416     
1 1 1 -25 7  5  o 16 3.67221      0.35349     620.513   39.9384      116.68    -140.062     307.794   -140.062     
1 1 1 -25 7  6  o 6  37.1659      1.3798      1544.94   -71.1653     1952.05   -71.1653     356.762   -71.1653     
1 1 1 -25 7  7  f 0  3.10098      0.341625    672.687   -52.511      370.402   127.489      454.827   127.489      
1 1 1 -25 7  8  o 15 9.61991      0.546863    706.213   -69.4976     559.629   -69.4976     4.83433   110.502      
1 1 1 -25 7  9  o 16 7.1285       0.527825    1005.28   -71.9215     233.855   108.078      527.71    108.078      
1 1 1 -25 7  10 o 8  51.3905      2.61382     1911.48   109.415      2133.28   109.415      267.701   109.415      
1 1 1 -25 7  11 o 2  2.60627      0.382664    834.458   12.3097      322.82    -167.69      520.42    -167.69      
1 1 1 -25 7  12 o 1  69.9393      2.68081     1424.65   -110.817     3166.77   -110.817     952.675   -110.817     
1 1 1 -25 7  13 o 3  14.602       0.839648    874.146   -179.203     703.09    -179.203     43.1576   0.796862     
1 1 1 -25 7  14 o 16 17.784       0.894813    594.179   111.87       1292.56   111.87       376.45    111.87       
1 1 1 -25 7  15 o 5  14.412       0.713686    949.682   -32.8937     998.031   -32.8937     69.6015   -32.8937     
1 1 1 -25 7  16 o 14 4.69254      0.502424    247.823   38.6161      271.034   38.6161      23.6589   38.6161      
1 1 1 -25 7  17 o 6  2.61803      0.364638    418.474   -146.578     76.1433   -146.578     152.579   33.4221      
1 1 1 -25 7  18 o 4  2.43795      0.419065    191.794   55.14        135.626   55.14        20.157    -124.86      
1 1 1 -25 7  19 f 0  3.87136      0.500143    536.271   56.6828      418.198   56.6828      29.8977   -123.317     
1 1 1 -25 7  20 f 0  4.68393      0.439617    418.086   -85.159      ?         ?            ?         ?            
1 1 1 -25 7  21 o 11 2.89231      0.409965    625.513   -127.346     ?         ?            ?         ?            
1 1 1 -25 7  22 o 9  2.8253       0.435782    213.492   133.955      ?         ?            ?         ?            
1 1 1 -25 9  1  o 4  33.9466      1.77264     2379.92   -46.9511     977.584   -46.9511     487.13    133.049      
1 1 1 -25 9  2  o 18 10.1828      0.731652    872.261   120.924      559.482   120.924      78.076    -59.0762     
1 1 1 -25 9  3  o 7  19.1745      0.993213    716.501   77.0017      1259.38   77.0017      334.881   77.0017      
1 1 1 -25 9  4  o 1  10.2541      0.635201    1822.19   87.4538      36.1534   -92.5462     772.298   -92.5462     
1 1 1 -25 9  5  o 9  7.3938       0.733629    1015.93   174.268      231.515   174.268      308.696   -5.7321      
1 1 1 -25 9  6  o 19 30.7101      1.43028     1686.04   -154.984     1389.06   -154.984     19.1271   25.0158      
1 1 1 -25 9  7  o 19 13.8768      0.876065    767.13    -73.8927     846.366   -73.8927     93.1253   -73.8927     
1 1 1 -25 9  8  o 19 4.34415      0.411296    818.497   -63.4828     99.1659   116.517      408.223   116.517      
1 1 1 -25 9  9  f 0  21.3318      1.09134     1652.53   -166.89      880.239   -166.89      296.647   13.1098      
1 1 1 -25 9  10 o 16 5.73969      0.665231    423.425   15.7329      119.401   15.7329      131.522   -164.267     
1 1 1 -25 9  11 o 2  9.42409      0.789235    613.712   -145.756     515.844   -145.756     20.7481   34.2443      
1 1 1 -25 9  12 f 0  8.86369      0.658096    372.803   -16.8003     575.597   -16.8003     118.823   -16.8003     
1 1 1 -25 9  13 o 18 3.87989      0.424006    328.611   -138.267     160.958   -138.267     67.8496   41.7328      
1 1 1 -25 9  14 o 6  0.570469     0.302905    207.243   -70.2118     172.913   109.788      180.106   109.788      
1 1 1 -25 9  15 o 16 21.8563      1.07671     520.566   179.341      1863.36   179.341      694.264   179.341      
1 1 1 -25 9  16 o 1  4.25811      0.428865    551.994   52.0804      386.459   52.0804      60.0051   -127.92      
1 1 1 -25 9  17 o 2  4.68933      0.466481    115.736   11.2022      355.12    11.2022      125.583   11.2022      
1 1 1 -25 9  18 o 4  4.03162      0.43714     502.765   -146.921     544.926   -146.921     59.3873   -146.921     
1 1 1 -25 9  19 o 10 1.26137      0.40115     384.316   153.045      ?         ?            ?         ?            
1 1 1 -25 9  20 o 15 1.84016      0.403554    492.156   -108.232     ?         ?            ?         ?            
1 1 1 -25 9  21 o 5  0.221913     0.370003    97.9864   -82.436      ?         ?            ?         ?            
1 1 1 -25 11 1  o 14 32.6482      1.22277     1758.07   -59.15       1429.66   -59.15       79.8996   120.85       
1 1 1 -25 11 2  o 12 11.18        0.965824    729.552   -27.2405     663.66    -27.2405     1.99154   -27.2405     
1 1 1 -25 11 3  o 19 3.93474      0.488637    83.6703   -170.945     54.4332   9.0551       65.0841   9.0551       
1 1 1 -25 11 4  f 0  3.66879      0.402345    672.039   42.9312      48.9126   -137.069     329.078   -137.069     
1 1 1 -25 11 5  o 16 46.7219      1.90052     1921.99   104.801      1916.58   104.801      85.8769   104.801      
1 1 1 -25 11 6  o 7  3.06463      0.379524    947.553   -141.208     226.246   38.7915      543.432   38.7915      
1 1 1 -25 11 7  o 7  1.95536      0.346184    178.852   -10.8764     101.158   169.124      131.718   169.124      
1 1 1 -25 11 8  o 11 4.04792      0.41629     266.646   112.443      65.5451   112.443      87.904    -67.5565     
1 1 1 -25 11 9  o 1  0.884016     0.356985    141.712   25.6546      79.5655   -154.345     103.754   -154.345     
1 1 1 -25 11 10 o 5  6.44016      0.683437    698.763   18.0286      461.275   18.0286      84.6876   -161.971     
1 1 1 -25 11 11 o 15 0.928387     0.327366    388.446   -44.6984     256.317   135.302      304.172   135.302      
1 1 1 -25 11 12 o 12 12.5494      0.963077    1327.94   -152.744     653.514   -152.744     279.73    27.2561      
1 1 1 -25 11 13 o 4  4.17077      0.50094     700.386   93.2793      320.948   93.2793      160.902   -86.7207     
1 1 1 -25 11 14 o 11 1.55701      0.370056    560.189   -166.524     12.4839   13.4756      260.258   13.4756      
1 1 1 -25 11 15 o 14 0.599753     0.32571     477.63    -132.744     ?         ?            ?         ?            
1 1 1 -25 11 16 o 18 0.878316     0.409133    124.283   4.07775      20.8421   4.07775      40.8246   -175.922     
1 1 1 -25 11 17 o 6  1.41024      0.434088    210.099   159.616      ?         ?            ?         ?            
1 1 1 -25 11 18 f 0  2.12039      0.488566    47.321    164.443      ?         ?            ?         ?            
1 1 1 -25 11 19 o 11 0.355237     0.281192    277.415   -104.176     ?         ?            ?         ?            
1 1 1 -25 13 1  o 9  5.66904      0.456747    1020.47   24.6346      69.3713   24.6346      427.536   -155.365     
1 1 1 -25 13 2  o 14 3.73716      0.564446    184.268   -126.359     51.7303   -126.359     57.6076   53.641       
1 1 1 -25 13 3  o 14 1.03921      0.400765    348.218   77.0646      154.646   -102.935     235.188   -102.935     
1 1 1 -25 13 4  o 13 0.50462      0.312844    889.403   34.0186      ?         ?            ?         ?            
1 1 1 -25 13 5  o 16 12.2597      0.696462    782.892   -1.45112     1025.76   -1.45112     156.5     -1.45112     
1 1 1 -25 13 6  o 11 4.27745      0.51559     411.212   150.418      408.3     150.418      16.3409   150.418      
1 1 1 -25 13 7  o 6  2.58516      0.427745    291.279   151.992      145.396   151.992      60.778    -28.0076     
1 1 1 -25 13 8  o 19 9.50317      0.625582    610.415   47.2376      975.187   47.2376      207.506   47.2376      
1 1 1 -25 13 9  o 10 1.33361      0.343974    399.259   -101.398     42.8506   78.6016      203.829   78.6016      
1 1 1 -25 13 10 o 8  1.51056      0.557419    582.738   -89.8407     123.884   90.1593      324.237   90.1593      
1 1 1 -25 13 11 f 0  0.78963      0.320192    235.132   24.1702      51.6578   -155.83      128.644   -155.83      
1 1 1 -25 13 12 f 0  0.278642     0.329843    171.313   -124.32      86.9069   55.6802      115.39    55.6802      
1 1 1 -25 13 13 o 14 2.49826      0.406198    338.12    -47.3949     384.579   -47.3949     55.8322   -47.3949     
1 1 1 -25 13 14 o 6  0.720947     0.333106    204.953   141.527      ?         ?            ?         ?            
1 1 1 -25 13 15 o 13 1.83517      0.442603    295.22    -77.0561     ?         ?            ?         ?            
1 1 1 -25 13 16 o 15 0.853684     0.616735    151.357   -87.8094     ?         ?            ?         ?            
1 1 1 -25 15 1  o 4  4.61405      0.590653    294.852   84.7229      625.822   84.7229      187.546   84.7229      
1 1 1 -25 15 2  o 5  1.17335      0.403184    120.6     24.8399      3.28634   -155.16      52.8888   -155.16      
1 1 1 -25 15 3  o 4  1.12335      0.396484    343.327   -108.252     38.5417   -108.252     125.936   71.7481      
1 1 1 -25 15 4  o 2  0.551769     0.367587    147.974   24.5531      39.9812   -155.447     82.0331   -155.447     
1 1 1 -25 15 5  o 11 0.988342     0.516221    144.845   56.8176      35.8475   56.8176      42.0618   -123.182     
1 1 1 -25 15 6  o 14 2.04481      0.400338    230.248   3.16247      283.189   3.16247      47.6551   3.16247      
1 1 1 -25 15 7  o 9  0.221868     0.314477    276.336   -158.162     116.735   21.8378      169.377   21.8378      
1 1 1 -25 15 8  o 14 1.08571      0.35574     529.464   53.1801      6.85411   53.1801      206.436   -126.82      
1 1 1 -25 15 9  o 4  0.87032      0.336176    304.522   -76.1441     22.7272   -76.1441     108.091   103.856      
1 1 1 -25 15 10 o 2  0.612972     0.392939    280.21    -150.963     ?         ?            ?         ?            
1 1 1 -25 15 11 o 11 -0.289454    0.467018    168.089   91.2047      ?         ?            ?         ?            
1 1 1 -25 15 12 o 6  0.302463     0.434549    224.115   -117.228     ?         ?            ?         ?            
1 1 1 -24 0  1  o 7  2.87129      1.00474     498.367   180          433.878   8.02385e-17  436.359   3.98911e-17  
1 1 1 -24 0  2  o 7  471.002      14.055      5497.22   0            7242.89   0            1203.01   0            
1 1 1 -24 0  3  o 19 72.8953      2.80039     2415.64   180          2609.79   180          246.799   180          
1 1 1 -24 0  4  o 11 14.6172      1.12373     1804.15   0            1183.96   180          1376.76   180          
1 1 1 -24 0  5  o 19 56.422       2.74947     1928.79   0            1790.71   0            62.9312   0            
1 1 1 -24 0  6  o 7  1.63309      0.399182    967.16    0            ?         ?            ?         ?            
1 1 1 -24 0  7  o 8  5.74534      0.548313    1217.44   180          ?         ?            ?         ?            
1 1 1 -24 0  8  o 6  4.83824      0.559571    771.036   180          202.049   1.5672e-14   427.69    3.70188e-15  
1 1 1 -24 0  9  o 9  16.5445      3.8183      572.745   0            513.786   0            16.2855   0            
1 1 1 -24 0  10 o 18 9.72007      1.31114     569.154   180          713.995   180          121.158   180          
1 1 1 -24 0  11 o 14 0.456511     0.254967    158.99    0            ?         ?            ?         ?            
1 1 1 -24 0  12 o 10 35.9143      2.20118     1838.23   180          1216.2    180          129.937   7.26927e-14  
1 1 1 -24 0  13 o 14 8.07329      0.761537    608.815   180          ?         ?            ?         ?            
1 1 1 -24 0  14 o 4  1.47468      0.321084    433.859   180          ?         ?            ?         ?            
1 1 1 -24 0  15 o 7  6.80521      0.749432    506.359   180          273.281   180          79.9523   3.10002e-14  
1 1 1 -24 0  16 o 3  1.24241      0.458758    394.895   180          248.008   2.92573e-15  299.714   1.2105e-15   
1 1 1 -24 0  17 o 19 2.38331      0.537963    1218.98   180          856.963   2.03959e-15  981.512   8.90389e-16  
1 1 1 -24 0  18 o 5  13.1184      0.88295     396.6     0            1087.53   0            364.224   0            
1 1 1 -24 0  19 o 3  23.8437      1.79333     732.304   0            1949.27   0            644.08    0            
1 1 1 -24 0  20 o 1  4.45101      0.539446    449.673   0            503.484   0            46.344    0            
1 1 1 -24 0  21 o 11 7.0314       0.68901     191.973   0            681.952   0            253.369   0            
1 1 1 -24 0  22 o 15 0.29609      0.391564    77.5085   180          60.1395   7.75833e-16  63.4642   3.67594e-16  
1 1 1 -24 0  23 o 17 10.7349      0.935858    782.248   0            ?         ?            ?         ?            
1 1 1 -24 0  24 o 19 7.17172      1.90119     453.093   0            ?         ?            ?         ?            
1 1 1 -24 2  1  f 0  94.5633      2.61219     2484.56   -177.179     2790.72   -177.179     315.288   -177.179     
1 1 1 -24 2  2  o 8  39.045       1.37012     1922.31   85.8233      735.84    85.8232      467.269   -94.1768     
1 1 1 -24 2  3  o 19 47.5312      1.45718     1958.5    -158.999     1119.37   -158.999     288.581   21.0013      
1 1 1 -24 2  4  o 18 26.2489      1.06499     1687.7    43.3535      571.577   43.3535      441.667   -136.647     
1 1 1 -24 2  5  o 6  92.3963      3.13366     2683.61   -43.9206     2071.97   -43.9206     114.591   136.079      
1 1 1 -24 2  6  o 11 2.80056      0.652056    585.919   -99.1467     ?         ?            ?         ?            
1 1 1 -24 2  7  o 19 1.76248      0.255528    479.856   -129.076     ?         ?            ?         ?            
1 1 1 -24 2  8  o 11 26.8472      1.23171     758.692   -118.516     1681.59   -118.516     520.672   -118.516     
1 1 1 -24 2  9  o 19 20.5002      0.904928    1595.94   -71.4376     812.634   -71.4376     260.177   108.562      
1 1 1 -24 2  10 o 8  13.5822      0.719256    383.393   115.689      688.541   115.689      186.569   115.689      
1 1 1 -24 2  11 o 17 23.9521      1.1548      1024.79   -58.8547     1246.11   -58.8547     208.473   -58.8547     
1 1 1 -24 2  12 o 7  16.8781      0.764646    1150.29   59.3161      1034.08   59.3161      56.1312   59.3161      
1 1 1 -24 2  13 o 3  2.42469      0.475097    746.995   85.4432      ?         ?            ?         ?            
1 1 1 -24 2  14 o 10 19.4931      1.21262     1046.81   -68.4908     1060.69   -68.4908     95.5287   -68.4908     
1 1 1 -24 2  15 o 13 8.02857      0.611551    824.086   179.895      338.224   179.895      187.615   -0.10469     
1 1 1 -24 2  16 o 1  57.5464      1.87924     1377.19   -150.935     2751.97   -150.935     758.624   -150.935     
1 1 1 -24 2  17 o 17 25.8361      1.0259      1587.48   -17.7443     1205.67   -17.7443     118.062   162.256      
1 1 1 -24 2  18 o 19 2.32901      0.317741    248.646   21.4306      24.5949   -158.569     124.683   -158.569     
1 1 1 -24 2  19 o 8  3.55819      0.407674    509.167   32.2956      202.573   32.2956      128.879   -147.704     
1 1 1 -24 2  20 o 10 38.1571      1.98477     1098.6    -49.0061     2298.54   -49.0061     646.163   -49.0061     
1 1 1 -24 2  21 o 11 6.92907      0.507957    384.759   74.9105      855.739   74.9105      253.367   74.9105      
1 1 1 -24 2  22 o 16 2.44849      0.482097    75.171    -143.527     ?         ?            ?         ?            
1 1 1 -24 2  23 o 14 1.90663      0.402369    296.435   13.922       ?         ?            ?         ?            
1 1 1 -24 2  24 o 3  0.022747     0.267377    380.78    -154.305     ?         ?            ?         ?            
1 1 1 -24 4  1  o 7  62.8088      2.07969     2574.21   -18.1888     1947.41   -18.1888     124.025   161.811      
1 1 1 -24 4  2  o 7  42.5182      1.33862     1401.33   105.532      1843.96   105.532      324.523   105.532      
1 1 1 -24 4  3  o 16 16.2573      0.845749    1786.64   -167.714     222.887   -167.714     649.438   12.286       
1 1 1 -24 4  4  o 9  10.8136      0.751625    1129.95   73.8638      243.568   73.8638      358.486   -106.136     
1 1 1 -24 4  5  o 8  35.8589      1.66467     1237.71   -157.568     1832.47   -157.568     391.7     -157.568     
1 1 1 -24 4  6  o 2  13.9699      0.728191    1555.9    52.6701      463.879   52.6701      424.499   -127.33      
1 1 1 -24 4  7  o 1  38.4802      1.53074     1289.95   143.054      2104.6    143.054      511.922   143.054      
1 1 1 -24 4  8  o 13 41.7288      1.6994      1638.45   -12.436      1907.54   -12.436      274.716   -12.436      
1 1 1 -24 4  9  o 3  20.4173      0.901552    799.153   47.0913      1273.99   47.0913      310.344   47.0913      
1 1 1 -24 4  10 o 5  1.41041      0.260001    521.954   169.589      279.107   -10.4109     350.031   -10.4109     
1 1 1 -24 4  11 o 7  41.0539      1.70707     796.224   113.081      2530.96   113.081      946.5     113.081      
1 1 1 -24 4  12 o 7  8.51063      0.607884    1435.46   64.3272      19.9243   64.3272      569.747   -115.673     
1 1 1 -24 4  13 o 18 41.7543      1.9183      1066.66   -24.3471     2164.37   -24.3471     640.065   -24.3471     
1 1 1 -24 4  14 o 6  68.3089      1.93925     1971.38   -176.813     2737.86   -176.813     520.09    -176.813     
1 1 1 -24 4  15 o 8  5.11676      0.477375    168.224   -83.3317     55.7678   -83.3317     47.1409   96.6683      
1 1 1 -24 4  16 o 5  28.7798      1.32886     1165.25   -18.51       1528.31   -18.51       235.479   -18.51       
1 1 1 -24 4  17 f 0  3.29467      0.511432    654.726   -10.79       82.3208   169.21       337.664   169.21       
1 1 1 -24 4  18 o 4  2.93147      0.475093    381.524   71.4705      100.222   71.4705      122.037   -108.529     
1 1 1 -24 4  19 o 13 1.93638      0.344792    739.911   22.2518      154.087   -157.748     414.242   -157.748     
1 1 1 -24 4  20 o 14 1.61783      0.436703    521.269   -15.7896     ?         ?            ?         ?            
1 1 1 -24 4  21 f 0  3.89111      0.518254    628.272   25.1904      405.635   25.1904      73.0016   -154.81      
1 1 1 -24 4  22 o 5  1.48547      0.394287    316.32    -40.2653     ?         ?            ?         ?            
1 1 1 -24 4  23 o 13 -0.079363    0.1606      267.997   -176.876     ?         ?            ?         ?            
1 1 1 -24 4  24 o 13 5.03492      0.535663    183.51    -135.287     ?         ?            ?         ?            
1 1 1 -24 6  1  o 10 51.365       2.4217      2490.76   -39.4831     1785.45   -39.4831     145.707   140.517      
1 1 1 -24 6  2  o 17 2.95101      0.36839     375.567   107.152      ?         ?            ?         ?            
1 1 1 -24 6  3  o 9  25.9824      0.941163    664.27    -98.7029     1718.05   -98.7029     582.766   -98.7029     
1 1 1 -24 6  4  o 15 4.3019       0.300071    544.002   133.383      36.4292   -46.6166     243.539   -46.6166     
1 1 1 -24 6  5  o 6  27.704       1.20085     1775.89   32.7475      1237.84   32.7475      112.138   -147.253     
1 1 1 -24 6  6  o 11 0.934761     0.23339     384.005   98.2234      291.277   -81.7766     302.445   -81.7766     
1 1 1 -24 6  7  o 18 12.4622      0.686107    1097.18   164.542      792.587   164.542      47.7143   -15.458      
1 1 1 -24 6  8  o 7  18.8043      0.866625    1053.36   -83.3881     909.36    -83.3881     31.6287   -83.3881     
1 1 1 -24 6  9  o 15 22.2809      0.962241    2101.07   -117.804     790.264   -117.804     446.738   62.1957      
1 1 1 -24 6  10 o 14 3.77446      0.374932    573.762   115.681      159.934   -64.3194     311.58    -64.3194     
1 1 1 -24 6  11 o 6  3.64392      0.498006    1201.69   91.1283      643.713   -88.8717     816.774   -88.8717     
1 1 1 -24 6  12 o 18 67.1718      2.38821     1692.71   93.9376      2875.56   93.9376      718.74    93.9376      
1 1 1 -24 6  13 o 4  11.7651      0.643469    473.912   -60.1354     674.757   -60.1354     129.145   -60.1354     
1 1 1 -24 6  14 o 18 4.39496      0.352792    304.386   144.735      45.6432   144.735      114.297   -35.2647     
1 1 1 -24 6  15 o 3  34.8726      1.4354      1557.51   136.723      1571.53   136.723      78.4479   136.723      
1 1 1 -24 6  16 o 11 2.30945      0.353053    585.988   152.35       176.7     -27.6502     353.293   -27.6502     
1 1 1 -24 6  17 o 9  14.2567      0.8155      625.234   -48.2595     1253.92   -48.2595     344.648   -48.2595     
1 1 1 -24 6  18 o 16 0.973641     0.347442    206.718   -23.0742     95.1298   156.926      141.917   156.926      
1 1 1 -24 6  19 o 16 1.31758      0.33347     176.619   115.372      11.199    115.372      75.2544   -64.6281     
1 1 1 -24 6  20 o 14 14.2707      0.808607    498.938   -133.832     1500.28   -133.832     531.042   -133.832     
1 1 1 -24 6  21 o 13 4.91835      0.515524    628.952   106.384      ?         ?            ?         ?            
1 1 1 -24 6  22 o 8  0.710612     0.319619    191.725   15.7753      ?         ?            ?         ?            
1 1 1 -24 6  23 o 18 0.140607     0.262732    383.883   150.536      ?         ?            ?         ?            
1 1 1 -24 8  1  o 10 1.66729      0.254433    729.228   136.37       581.884   -43.6301     583.124   -43.6301     
1 1 1 -24 8  2  o 17 0.666591     0.215336    48.4955   -171.751     ?         ?            ?         ?            
1 1 1 -24 8  3  f 0  3.25187      0.309021    1432.45   -164.653     507.908   15.3474      827.814   15.3474      
1 1 1 -24 8  4  o 13 6.93622      0.501823    477.318   176.72       377.479   176.72       2.55985   -3.2795      
1 1 1 -24 8  5  o 2  7.75235      0.667644    1120.87   43.0498      96.4224   43.0498      401.911   -136.95      
1 1 1 -24 8  6  o 3  29.0989      1.10921     906.86    38.237       1752.27   38.237       510.074   38.237       
1 1 1 -24 8  7  o 14 29.19        1.35171     1728.15   73.2001      1390.94   73.2001      9.12716   -106.8       
1 1 1 -24 8  8  f 0  13.2672      0.897726    557.793   -121.306     628.192   -121.306     82.965    -121.306     
1 1 1 -24 8  9  o 16 4.34557      0.64787     474.553   125.194      9.3937    125.194      196.355   -54.8057     
1 1 1 -24 8  10 o 15 17.2934      1.12657     613.384   28.3319      814.015   28.3319      140.392   28.3319      
1 1 1 -24 8  11 o 12 1.38575      0.341405    984.496   126.333      576.611   -53.6665     726.546   -53.6665     
1 1 1 -24 8  12 o 13 38.6563      1.4421      827.063   18.8425      2273.73   18.8425      762.861   18.8425      
1 1 1 -24 8  13 o 15 8.75245      0.551117    327.221   -106.021     416.344   -106.021     59.5818   -106.021     
1 1 1 -24 8  14 o 1  12.3501      0.729069    515.026   -166.451     1010.89   -166.451     272.527   -166.451     
1 1 1 -24 8  15 o 12 15.3008      0.870684    871.322   157.168      1123.98   157.168      168.82    157.168      
1 1 1 -24 8  16 o 5  7.80327      0.573278    109.16    117.942      365.942   117.942      133.333   117.942      
1 1 1 -24 8  17 o 19 3.13415      0.50457     543.122   25.9507      204.574   25.9507      146.931   -154.049     
1 1 1 -24 8  18 o 18 0.178025     0.2604      209.009   -147.666     ?         ?            ?         ?            
1 1 1 -24 8  19 o 15 0.399853     0.293773    116.845   -109.064     79.053    70.9362      89.1396   70.9362      
1 1 1 -24 8  20 o 19 1.19363      0.388119    605.313   84.1301      ?         ?            ?         ?            
1 1 1 -24 8  21 o 1  0.63724      0.305048    143.421   -110.525     ?         ?            ?         ?            
1 1 1 -24 10 1  o 8  11.9107      0.765786    651.942   126.534      712.731   126.534      75.9001   126.534      
1 1 1 -24 10 2  o 6  43.8371      1.79514     1453.84   -158.562     2187.41   -158.562     467.871   -158.562     
1 1 1 -24 10 3  o 10 12.8229      0.620328    1141.45   -38.1416     695.935   -38.1416     145.222   141.858      
1 1 1 -24 10 4  o 6  16.4006      0.962696    1474.56   -60.6045     690.805   -60.6045     295.954   119.395      
1 1 1 -24 10 5  o 4  45.9697      1.70443     1534.84   158.002      2193.79   158.002      423.238   158.002      
1 1 1 -24 10 6  o 15 10.1046      0.735516    746.602   -170.308     581.494   -170.308     40.4314   9.69197      
1 1 1 -24 10 7  o 13 0.318794     0.22145     757.012   -55.6296     ?         ?            ?         ?            
1 1 1 -24 10 8  o 2  9.24748      0.699941    791.016   174.284      269.709   174.284      222.721   -5.71646     
1 1 1 -24 10 9  o 17 1.41399      0.367396    186.416   5.27386      162.405   -174.726     165.832   -174.726     
1 1 1 -24 10 10 o 18 5.56314      0.452566    810.962   119.263      233.593   119.263      251.162   -60.7369     
1 1 1 -24 10 11 f 0  10.6933      0.706835    980.846   -58.9969     573.125   -58.9969     156.873   121.003      
1 1 1 -24 10 12 f 0  1.30366      0.357911    249.863   128.413      88.2552   -51.5869     156.849   -51.5869     
1 1 1 -24 10 13 o 3  2.3894       0.447554    826.844   -62.6047     410.146   117.395      579.618   117.395      
1 1 1 -24 10 14 o 1  2.43234      0.431878    255.154   -33.3501     72.3894   -33.3501     80.4732   146.65       
1 1 1 -24 10 15 o 3  3.80786      0.51006     218.445   103.028      332.183   103.028      65.9776   103.028      
1 1 1 -24 10 16 o 4  9.43005      0.687896    580.819   -172.664     1031.56   -172.664     256.022   -172.664     
1 1 1 -24 10 17 o 7  1.00191      0.341806    347.324   23.0428      51.9566   -156.957     172.839   -156.957     
1 1 1 -24 10 18 o 10 5.18581      0.506292    165.073   63.8638      ?         ?            ?         ?            
1 1 1 -24 10 19 o 1  1.27059      0.403667    291.889   148.873      ?         ?            ?         ?            
1 1 1 -24 10 20 o 8  0.54009      0.281943    297.273   -51.5763     ?         ?            ?         ?            
1 1 1 -24 12 1  o 8  9.29725      0.590466    1360      109.362      283.798   109.362      474.21    -70.638      
1 1 1 -24 12 2  o 16 4.85073      0.502332    652.273   21.6031      73.618    21.6031      258.659   -158.397     
1 1 1 -24 12 3  o 16 7.44896      0.617009    1027.95   -58.573      333.398   -58.573      298.712   121.427      
1 1 1 -24 12 4  o 19 11.9657      0.692658    193.429   0.7137       606.471   0.7137       215.74    0.7137       
1 1 1 -24 12 5  o 12 1.02971      0.336014    668.494   -87.0175     431.154   92.9825      517.591   92.9825      
1 1 1 -24 12 6  o 10 2.89239      0.378183    519.327   -35.8323     96.677    144.168      282.696   144.168      
1 1 1 -24 12 7  o 5  0.647908     0.288116    592.393   -40.5542     407.108   139.446      470.822   139.446      
1 1 1 -24 12 8  o 19 1.78546      0.340456    497.263   -90.9376     152.62    89.0624      301.059   89.0624      
1 1 1 -24 12 9  o 19 0.370939     0.39233     218.209   43.9419      ?         ?            ?         ?            
1 1 1 -24 12 10 o 1  0.527209     0.243048    357.813   73.7061      255.704   -106.294     291.375   -106.294     
1 1 1 -24 12 11 o 19 1.84273      0.476654    537.094   68.8857      5.29536   -111.114     249.104   -111.114     
1 1 1 -24 12 12 o 3  6.4417       0.62991     550.516   9.44386      713.588   9.44386      105.876   9.44386      
1 1 1 -24 12 13 o 17 0.783293     0.320409    124.529   137.758      24.9784   -42.2422     67.7629   -42.2422     
1 1 1 -24 12 14 o 9  0.916881     0.492639    184.086   -97.8914     64.5307   82.1086      110.271   82.1086      
1 1 1 -24 12 15 o 15 0.617132     0.365981    159.32    122.84       44.2704   -57.1599     86.467    -57.1599     
1 1 1 -24 12 16 o 1  0.599301     0.372589    128.292   46.6052      ?         ?            ?         ?            
1 1 1 -24 12 17 o 3  0.62511      0.590943    326.804   -96.8036     ?         ?            ?         ?            
1 1 1 -24 14 1  o 10 2.83125      0.672851    806.191   -21.2989     31.2238   -21.2989     354.194   158.701      
1 1 1 -24 14 2  o 4  1.98019      0.406605    445.2     27.6283      80.3572   27.6283      164.025   -152.372     
1 1 1 -24 14 3  o 18 1.75813      0.40965     416.046   87.4897      145.429   -92.5103     263.452   -92.5103     
1 1 1 -24 14 4  o 13 1.31071      0.507185    46.6035   -172.997     9.59102   7.0034       26.1301   7.0034       
1 1 1 -24 14 5  o 16 0.0314676    0.25118     132.129   -113.162     113.542   66.8376      117.051   66.8376      
1 1 1 -24 14 6  o 17 4.23259      0.476068    468.393   -154.286     506.961   -154.286     41.2965   -154.286     
1 1 1 -24 14 7  o 9  1.95265      0.409965    283.281   -133.849     128.492   -133.849     62.4478   46.151       
1 1 1 -24 14 8  o 1  0.568701     0.29766     135.179   -170.052     59.6076   9.94797      89.0367   9.94797      
1 1 1 -24 14 9  o 15 0.679027     0.399416    60.6999   105.663      24.4669   -74.3371     38.0892   -74.3371     
1 1 1 -24 14 10 o 8  1.08992      0.371759    522.702   7.21701      37.3256   -172.783     234.187   -172.783     
1 1 1 -24 14 11 o 15 1.74221      0.417729    435.025   -26.7972     185.528   -26.7972     81.5177   153.203      
1 1 1 -24 14 12 o 10 1.29691      0.408579    398.276   -13.4526     ?         ?            ?         ?            
1 1 1 -24 14 13 o 5  0.394412     0.328312    335.257   115.856      ?         ?            ?         ?            
1 1 1 -24 14 14 o 19 0.795408     0.341872    470.379   -147.577     ?         ?            ?         ?            
1 1 1 -24 16 1  o 13 0.801472     0.363214    221.545   103.919      36.3721   103.919      68.9295   -76.0813     
1 1 1 -24 16 2  f 0  0.888475     0.463328    48.3339   -149.105     22.5321   -149.105     7.73468   30.8951      
1 1 1 -24 16 3  o 3  0.0451026    0.279368    103.887   140.517      58.8107   -39.4827     70.181    -39.4827     
1 1 1 -24 16 4  o 10 0.639493     0.379505    184.68    -32.9774     0.0856316 -32.9774     72.2361   147.023      
1 1 1 -24 16 5  f 0  1.4486       0.426289    482.648   139.506      136.464   139.506      119.802   -40.4941     
1 1 1 -24 16 6  o 8  0.501806     0.370339    200.626   131.506      13.1642   -48.4937     84.1437   -48.4937     
1 1 1 -24 16 7  o 14 0.650368     0.30987     463.848   22.5184      ?         ?            ?         ?            
1 1 1 -24 16 8  o 9  0.416256     0.280333    164.971   106.382      ?         ?            ?         ?            
1 1 1 -24 16 9  o 17 0.502194     0.348401    155.714   -143.931     ?         ?            ?         ?            
1 1 1 -23 1  1  o 19 109.662      3.00118     2505.79   -75.171      3130.58   -75.171      456.329   -75.171      
1 1 1 -23 1  2  o 5  338.504      6.91345     4923.18   -154.376     5447.59   -154.376     547.332   -154.376     
1 1 1 -23 1  3  o 8  161.6        4.65905     3226.94   89.7388      3832.61   89.7388      496.853   89.7388      
1 1 1 -23 1  4  o 19 64.1844      2.37095     2798.99   20.2844      1471.74   20.2844      485.721   -159.716     
1 1 1 -23 1  5  o 7  6.37316      0.356317    700.02    -143.164     308.784   36.8361      457.209   36.8361      
1 1 1 -23 1  6  o 11 140.346      3.90541     2764.24   67.1393      3969.78   67.1393      798.669   67.1393      
1 1 1 -23 1  7  o 11 51.3391      1.81148     1891.33   -47.3546     1857.29   -47.3546     122.083   -47.3546     
1 1 1 -23 1  8  o 10 28.4366      1.47825     1284.36   13.0581      1216.94   13.0581      63.8599   13.0581      
1 1 1 -23 1  9  o 10 42.2192      2.00035     1372.08   124.303      2095.08   124.303      470.465   124.303      
1 1 1 -23 1  10 o 2  31.8739      1.18727     1568.23   -53.7097     1626.76   -53.7097     162.598   -53.7097     
1 1 1 -23 1  11 o 17 38.6334      1.44777     1683.49   -127.599     1846.41   -127.599     236.844   -127.599     
1 1 1 -23 1  12 o 5  4.30192      0.545481    1192.26   -99.6758     ?         ?            ?         ?            
1 1 1 -23 1  13 o 4  10.6473      0.626864    876.643   -145.103     584.99    -145.103     59.4847   34.8973      
1 1 1 -23 1  14 o 18 6.14192      0.512999    345.306   53.7673      168.13    -126.233     225.757   -126.233     
1 1 1 -23 1  15 o 1  13.0716      0.679596    1309.46   -116.744     403.395   -116.744     357.5     63.2557      
1 1 1 -23 1  16 o 7  15.8487      0.72754     503.653   150.27       909.294   150.27       230.771   150.27       
1 1 1 -23 1  17 o 2  3.11304      0.4456      260.189   -68.8236     114.65    111.176      175.347   111.176      
1 1 1 -23 1  18 o 11 17.3823      1.04714     451.87    -5.38108     1360.19   -5.38108     475.504   -5.38108     
1 1 1 -23 1  19 o 2  73.9771      2.85502     1700.22   169.063      3120.38   169.063      792.782   169.063      
1 1 1 -23 1  20 o 1  6.68684      0.481183    222.11    176.067      497.979   176.067      147.555   176.067      
1 1 1 -23 1  21 o 16 10.5883      0.6649      525.368   -122.696     1137.33   -122.696     328.854   -122.696     
1 1 1 -23 1  22 o 13 4.4394       0.475772    414.347   56.6774      618.958   56.6774      130.861   56.6774      
1 1 1 -23 1  23 o 11 5.10709      0.632125    372.967   118.359      ?         ?            ?         ?            
1 1 1 -23 1  24 o 16 2.39349      0.404081    114.846   -64.0414     ?         ?            ?         ?            
1 1 1 -23 3  1  o 6  19.0189      0.916504    1083.27   -44.972      593.914   -44.972      170.986   135.028      
1 1 1 -23 3  2  o 7  47.6091      1.68155     1593.56   -74.2382     1689.95   -74.2382     156.982   -74.2382     
1 1 1 -23 3  3  o 14 68.9875      2.02787     1704.27   -94.4268     1958.9    -94.4268     245.494   -94.4268     
1 1 1 -23 3  4  o 19 58.2671      1.85673     2123.47   142.771      1862.42   142.771      20.1472   142.771      
1 1 1 -23 3  5  o 3  145.337      3.85292     3652.18   91.4939      3309.43   91.4939      94.2516   91.4939      
1 1 1 -23 3  6  o 4  42.6112      1.66205     745.219   29.0191      2217      29.0191      791.402   29.0191      
1 1 1 -23 3  7  o 13 88.3553      3.56322     2342.56   -72.4336     2965.79   -72.4336     490.908   -72.4336     
1 1 1 -23 3  8  o 14 1.08374      0.23387     270.426   -62.0814     ?         ?            ?         ?            
1 1 1 -23 3  9  o 12 12.7601      0.71055     701.153   45.0291      810.648   45.0291      114.039   45.0291      
1 1 1 -23 3  10 o 15 7.123        0.460113    210.018   40.6288      225.106   40.6288      26.6709   40.6288      
1 1 1 -23 3  11 o 15 2.46975      0.341538    515.711   60.5694      ?         ?            ?         ?            
1 1 1 -23 3  12 o 11 21.4212      0.942329    1067.7    22.0998      1353.79   22.0998      249.064   22.0998      
1 1 1 -23 3  13 o 11 15.9073      0.739324    1609.91   -138.968     529.917   -138.968     388.661   41.0317      
1 1 1 -23 3  14 o 13 14.9338      1.29985     459.834   -155.271     867.77    -155.271     240.98    -155.271     
1 1 1 -23 3  15 o 12 69.7929      2.29216     1259.32   98.9417      3216.92   98.9417      1058      98.9417      
1 1 1 -23 3  16 o 3  32.9854      1.48717     1382.4    -114.398     1706.56   -114.398     230.407   -114.398     
1 1 1 -23 3  17 o 12 9.63121      0.605714    931.897   -176.298     463.005   -176.298     191.623   3.70185      
1 1 1 -23 3  18 o 15 3.10764      0.398456    694.15    22.602       146.092   -157.398     386.437   -157.398     
1 1 1 -23 3  19 o 10 10.449       0.63769     742.135   -111.786     856.117   -111.786     91.9005   -111.786     
1 1 1 -23 3  20 o 7  2.99196      0.368812    289.53    25.6572      187.968   25.6572      38.8174   -154.343     
1 1 1 -23 3  21 o 14 3.42075      0.646528    556.318   -22.6302     276.93    -22.6302     111.8     157.37       
1 1 1 -23 3  22 o 11 6.03725      0.598969    200.034   23.2623      ?         ?            ?         ?            
1 1 1 -23 3  23 o 7  5.7375       0.625178    291.19    102.51       ?         ?            ?         ?            
1 1 1 -23 3  24 o 17 5.7896       0.521295    154.669   146.73       ?         ?            ?         ?            
1 1 1 -23 5  1  o 3  43.6472      1.91489     1314.75   -159.038     2047.15   -159.038     466.168   -159.038     
1 1 1 -23 5  2  o 1  30.3224      1.37691     833.82    6.99011      1766.73   6.99011      529.94    6.99011      
1 1 1 -23 5  3  o 1  43.2144      1.48169     1436.57   101.311      1975.71   101.311      379.691   101.311      
1 1 1 -23 5  4  o 17 5.51655      0.541255    294.741   65.7372      90.4093   -114.263     169.681   -114.263     
1 1 1 -23 5  5  o 7  45.1968      1.5186      1673.9    -112.136     2112.71   -112.136     352.271   -112.136     
1 1 1 -23 5  6  o 17 9.26409      0.477138    602.349   151.672      395.256   151.672      54.1232   -28.328      
1 1 1 -23 5  7  o 6  11.2467      0.724561    2194.19   86.18        104.947   -93.82       960.991   -93.82       
1 1 1 -23 5  8  o 7  13.6777      0.762003    276.823   91.2444      671.257   91.2444      222.383   91.2444      
1 1 1 -23 5  9  o 6  44.9244      1.61751     1935.79   -54.6228     1856.53   -54.6228     146.162   -54.6228     
1 1 1 -23 5  10 o 19 27.6125      1.20256     549.925   -89.3557     1840.12   -89.3557     699.637   -89.3557     
1 1 1 -23 5  11 o 15 21.0755      0.987481    1596.75   177.656      905.201   177.656      189.405   -2.34357     
1 1 1 -23 5  12 o 9  13.4595      1.00336     1145.86   -41.6821     471.381   -41.6821     233.829   138.318      
1 1 1 -23 5  13 o 17 11.0124      0.712488    875.089   -6.94732     425.716   -6.94732     157.804   173.053      
1 1 1 -23 5  14 o 15 6.98153      0.547435    1070.36   69.5386      98.4763   69.5386      421.268   -110.461     
1 1 1 -23 5  15 o 9  1.28481      0.344831    306.252   -141.76      ?         ?            ?         ?            
1 1 1 -23 5  16 o 16 25.8451      1.13201     1577.31   117.164      1242.1    117.164      95.1193   -62.8362     
1 1 1 -23 5  17 o 5  6.19938      0.619966    700.965   38.6091      352.283   38.6091      140.413   -141.391     
1 1 1 -23 5  18 o 11 2.47956      0.443281    541.442   -123.898     40.969    56.1016      265.442   56.1016      
1 1 1 -23 5  19 < 19 -0.637839    0.161408    488.557   131.302      ?         ?            ?         ?            
1 1 1 -23 5  20 o 11 7.08532      0.694374    592.657   88.0638      774.281   88.0638      118.184   88.0638      
1 1 1 -23 5  21 f 0  0.61145      0.281831    317.634   -110.553     122.819   69.4473      196.853   69.4473      
1 1 1 -23 5  22 o 9  5.01379      0.476296    496.314   90.4544      ?         ?            ?         ?            
1 1 1 -23 5  23 o 6  0.0805817    0.313221    285.946   -7.79927     ?         ?            ?         ?            
1 1 1 -23 7  1  o 8  10.8334      0.719369    438.903   39.3122      749.062   39.3122      195.036   39.3122      
1 1 1 -23 7  2  o 8  9.192        0.663811    731.216   -85.0606     565.526   -85.0606     16.133    94.9394      
1 1 1 -23 7  3  o 11 6.2087       0.659756    587.348   156.238      273.999   -23.7618     376.524   -23.7618     
1 1 1 -23 7  4  o 1  6.32238      0.465333    331.352   -139.487     130.818   -139.487     69.1753   40.5129      
1 1 1 -23 7  5  o 3  1.13219      0.213887    487.499   103.911      ?         ?            ?         ?            
1 1 1 -23 7  6  o 8  38.3075      1.41597     1282.65   61.2325      2030.26   61.2325      499.558   61.2325      
1 1 1 -23 7  7  o 3  6.51541      0.554084    613.494   5.22598      144.885   5.22598      173.37    -174.774     
1 1 1 -23 7  8  o 14 8.46847      0.66442     1936.47   45.5648      534.099   -134.435     1044.32   -134.435     
1 1 1 -23 7  9  o 7  0.761233     0.257422    573.378   25.9607      ?         ?            ?         ?            
1 1 1 -23 7  10 o 6  8.90731      1.25166     1320.26   -92.505      267.7     -92.505      412.152   87.495       
1 1 1 -23 7  11 o 10 5.39932      0.394153    333.555   -51.835      19.3215   -51.835      132.275   128.165      
1 1 1 -23 7  12 o 18 11.123       0.698129    381.745   -116.228     398.56    -116.228     31.7261   -116.228     
1 1 1 -23 7  13 o 17 15.2241      0.823608    1031.09   -84.3675     833.303   -84.3675     46.9398   95.6325      
1 1 1 -23 7  14 o 19 11.4105      0.686776    445.537   109.918      657.187   109.918      126.297   109.918      
1 1 1 -23 7  15 o 14 17.1647      0.831072    849.054   107.957      1262.5    107.957      246.85    107.957      
1 1 1 -23 7  16 f 0  11.5417      0.782589    433.002   -8.69905     1021.38   -8.69905     315.344   -8.69905     
1 1 1 -23 7  17 o 3  4.67747      0.491679    333.288   -115.768     397.756   -115.768     47.3829   -115.768     
1 1 1 -23 7  18 o 14 1.11693      0.306821    270.477   37.8852      41.6921   -142.115     144.961   -142.115     
1 1 1 -23 7  19 o 17 1.98552      0.490449    324.075   -172.013     165.701   -172.013     62.6576   7.98654      
1 1 1 -23 7  20 o 7  8.53512      0.595936    655.986   83.9607      946.426   83.9607      197.668   83.9607      
1 1 1 -23 7  21 o 12 4.32345      0.486297    241.166   146.86       ?         ?            ?         ?            
1 1 1 -23 7  22 o 2  0.434127     0.266799    350.501   -135.987     ?         ?            ?         ?            
1 1 1 -23 9  1  o 8  7.78302      0.560602    586.102   160.673      290.953   -19.3272     383.333   -19.3272     
1 1 1 -23 9  2  o 12 2.99391      0.379455    1058.06   -112.622     419.131   67.3777      639.176   67.3777      
1 1 1 -23 9  3  o 17 3.43166      0.411926    928.11    44.9785      730.083   -135.021     742.886   -135.021     
1 1 1 -23 9  4  o 16 4.97644      0.430658    226.464   156.729      23.9061   -23.2714     104.635   -23.2714     
1 1 1 -23 9  5  o 18 17.5182      1.00748     982.286   -88.4936     992.278   -88.4936     90.6793   -88.4936     
1 1 1 -23 9  6  o 6  2.50746      0.322255    1051.22   20.0752      834.592   -159.925     856.672   -159.925     
1 1 1 -23 9  7  o 12 16.7436      0.782119    1336.37   -178.471     764.756   -178.471     185.518   1.52912      
1 1 1 -23 9  8  o 12 14.5896      1.23132     612.387   79.5911      709.541   79.5911      89.3797   79.5911      
1 1 1 -23 9  9  o 17 6.43429      0.529977    416.756   101.554      200.164   101.554      84.1841   -78.4465     
1 1 1 -23 9  10 o 3  2.92063      0.407994    236.1     110.504      115.25    -69.4962     163.753   -69.4962     
1 1 1 -23 9  11 o 4  0.587528     0.235472    109.777   -41.9959     96.8232   138.004      98.2058   138.004      
1 1 1 -23 9  12 o 17 4.08068      0.45824     123.638   133.728      27.8619   133.728      42.1741   -46.2721     
1 1 1 -23 9  13 o 2  12.6589      1.0765      1201.88   169.309      679.394   169.309      203.332   -10.6913     
1 1 1 -23 9  14 o 5  3.43983      0.518683    200.974   166.096      114.623   166.096      33.4044   -13.9045     
1 1 1 -23 9  15 o 10 7.97047      0.586205    587.243   -43.6176     746.493   -43.6176     106.083   -43.6176     
1 1 1 -23 9  16 o 9  2.73967      0.417111    485.03    151.652      185.924   151.652      129.593   -28.3475     
1 1 1 -23 9  17 f 0  6.52326      0.513691    325.93    -151.149     811.59    -151.149     258.42    -151.149     
1 1 1 -23 9  18 o 17 1.66293      0.377054    181.362   6.70172      146.755   6.70172      4.33984   -173.298     
1 1 1 -23 9  19 o 1  0.222906     0.281921    418.214   105.031      ?         ?            ?         ?            
1 1 1 -23 9  20 o 16 0.473349     0.284297    208.202   -174.122     ?         ?            ?         ?            
1 1 1 -23 9  21 o 9  1.2834       0.419039    373.514   88.8754      ?         ?            ?         ?            
1 1 1 -23 11 1  o 18 24.7567      1.53302     1279.18   -172.635     1251.23   -172.635     50.66     -172.635     
1 1 1 -23 11 2  o 13 1.85996      0.340875    740.258   -154.207     ?         ?            ?         ?            
1 1 1 -23 11 3  o 8  11.1109      0.713331    830.577   110.644      607.882   110.644      70.1897   -69.3556     
1 1 1 -23 11 4  o 9  23.7459      0.907319    1392.78   -6.56434     1251.17   -6.56434     3.50368   173.436      
1 1 1 -23 11 5  o 1  27.5197      1.37236     1143.85   -38.8851     1618.27   -38.8851     290.983   -38.8851     
1 1 1 -23 11 6  o 14 2.52336      0.428084    324.435   165.089      113.032   -14.9111     203.787   -14.9111     
1 1 1 -23 11 7  o 13 0.429602     0.270948    648.412   -165.835     ?         ?            ?         ?            
1 1 1 -23 11 8  o 15 8.78319      0.690186    1141.92   -102.639     319.825   -102.639     357.699   77.3614      
1 1 1 -23 11 9  o 3  0.326244     0.221202    392.151   7.91881      338.837   -172.081     346.648   -172.081     
1 1 1 -23 11 10 o 11 15.2914      0.89073     1461.74   -142.872     679.217   -142.872     319.823   37.1283      
1 1 1 -23 11 11 o 14 9.64796      0.664853    590.839   42.0254      860.469   42.0254      163.071   42.0254      
1 1 1 -23 11 12 o 9  7.82988      0.761398    336.081   1.07777      766.931   1.07777      230.382   1.07777      
1 1 1 -23 11 13 o 4  1.08271      0.303437    470.259   163.869      164.607   -16.1311     298.02    -16.1311     
1 1 1 -23 11 14 o 7  3.09136      0.496105    698.331   2.77782      150.309   2.77782      243.191   -177.222     
1 1 1 -23 11 15 o 4  1.87687      0.413465    321.935   58.3555      137.029   58.3555      73.455    -121.645     
1 1 1 -23 11 16 o 2  1.11669      0.372473    382.362   -147.043     19.814    -147.043     149.533   32.9574      
1 1 1 -23 11 17 o 7  0.903602     0.420391    342.188   104.057      ?         ?            ?         ?            
1 1 1 -23 11 18 o 5  0.270107     0.311521    272.526   91.6112      ?         ?            ?         ?            
1 1 1 -23 11 19 o 10 0.805605     0.313778    177.808   90.8665      ?         ?            ?         ?            
1 1 1 -23 13 1  o 4  7.85911      0.596442    1080.73   -119.068     407.74    -119.068     284.429   60.9323      
1 1 1 -23 13 2  o 10 9.06998      0.589496    735.718   -145.399     753.111   -145.399     44.1036   -145.399     
1 1 1 -23 13 3  o 9  2.2917       0.685724    263.528   -71.6109     10.9795   108.389      124.643   108.389      
1 1 1 -23 13 4  o 18 1.44137      0.35574     391.627   -115.402     259.865   64.5978      307.231   64.5978      
1 1 1 -23 13 5  o 1  3.37233      0.399207    304.013   107.588      195.451   107.588      40.2164   -72.4125     
1 1 1 -23 13 6  o 17 4.52598      0.452957    410.456   27.3811      404.034   27.3811      15.152    27.3811      
1 1 1 -23 13 7  f 0  6.93969      0.599039    394.665   41.7718      731.876   41.7718      185.521   41.7718      
1 1 1 -23 13 8  o 19 4.118        0.405688    408.325   -146.364     412.851   -146.364     19.1385   -146.364     
1 1 1 -23 13 9  o 2  2.91357      0.47014     567.085   85.5776      213.093   85.5776      153.352   -94.4224     
1 1 1 -23 13 10 o 2  1.71768      0.424751    228.308   -25.4511     83.8962   -25.4511     61.6308   154.549      
1 1 1 -23 13 11 o 4  4.73565      0.580925    123.974   144.442      400.909   144.442      145.575   144.442      
1 1 1 -23 13 12 o 12 0.0133392    0.291341    186.822   22.7282      137.527   -157.272     148.294   -157.272     
1 1 1 -23 13 13 o 6  0.88699      0.360785    313.496   148.261      17.4041   -31.7393     136.512   -31.7393     
1 1 1 -23 13 14 f 0  0.394427     0.345406    130.258   -9.72988     ?         ?            ?         ?            
1 1 1 -23 13 15 o 4  1.88355      0.422409    252.571   111.7        ?         ?            ?         ?            
1 1 1 -23 13 16 o 17 1.40019      0.657454    254.066   86.8017      ?         ?            ?         ?            
1 1 1 -23 15 1  o 13 1.92134      0.486819    330.959   -157.837     169.904   -157.837     58.3697   22.1635      
1 1 1 -23 15 2  o 6  1.41293      0.477365    433.89    152.076      24.5368   -27.9243     199.975   -27.9243     
1 1 1 -23 15 3  o 15 1.05949      0.34701     601.358   46.4306      126.5     -133.569     322.111   -133.569     
1 1 1 -23 15 4  o 19 2.98619      0.572218    352.904   63.6268      416.812   63.6268      57.875    63.6268      
1 1 1 -23 15 5  o 1  0.513942     0.309691    310.395   82.3316      135.37    -97.6684     198.34    -97.6684     
1 1 1 -23 15 6  o 1  -0.0326938   0.270018    100.065   -38.5923     71.0271   141.408      76.9328   141.408      
1 1 1 -23 15 7  o 3  2.89851      0.405893    489.335   -91.5387     408.722   -91.5387     5.52868   -91.5387     
1 1 1 -23 15 8  o 9  1.02968      0.403422    215.185   -120.485     72.9107   -120.485     49.4915   59.5148      
1 1 1 -23 15 9  o 6  0.743135     0.313585    495.22    43.0364      162.767   -136.964     276.603   -136.964     
1 1 1 -23 15 10 o 3  0.137986     0.290283    209.112   -38.8472     ?         ?            ?         ?            
1 1 1 -23 15 11 o 2  -0.873969    0.270281    135.928   114.835      ?         ?            ?         ?            
1 1 1 -23 15 12 o 18 0.347694     0.397941    159.98    56.3034      ?         ?            ?         ?            
1 1 1 -23 17 1  o 12 0.148383     0.341445    190.961   26.2254      ?         ?            ?         ?            
1 1 1 -23 17 2  o 12 2.49214      0.459329    428.596   124.649      ?         ?            ?         ?            
1 1 1 -22 0  1  o 8  8.66323      0.644687    1811.97   180          893.921   5.75581e-15  1260.56   2.04085e-15  
1 1 1 -22 0  2  o 4  47.0724      2.27354     2046.24   180          1838.49   180          1.89315   180          
1 1 1 -22 0  3  o 1  63.2461      2.81041     2424.88   0            1231.96   0            464.23    180          
1 1 1 -22 0  4  o 3  2.31171      0.580142    197.456   0            147.93    180          161.049   180          
1 1 1 -22 0  5  o 1  78.4954      2.7369      1837.8    0            3078.35   0            738.037   0            
1 1 1 -22 0  6  o 10 9.6216       0.734959    880.236   0            75.4705   180          417.33    180          
1 1 1 -22 0  7  o 5  1.33978      0.296186    327.633   0            ?         ?            ?         ?            
1 1 1 -22 0  8  o 5  0.614199     0.218934    439.45    0            339.549   180          356.573   180          
1 1 1 -22 0  9  o 11 9.89734      0.728685    362.749   0            410.336   0            52.0884   0            
1 1 1 -22 0  10 o 19 1.163        0.509862    128.25    0            ?         ?            ?         ?            
1 1 1 -22 0  11 o 4  0.846957     0.455928    16.4424   0            ?         ?            ?         ?            
1 1 1 -22 0  12 o 18 0.730319     0.281652    369.666   0            ?         ?            ?         ?            
1 1 1 -22 0  13 o 8  8.21667      0.742394    377.309   0            10.8066   180          156.655   180          
1 1 1 -22 0  14 o 4  12.03        0.822376    660.667   180          400.497   180          69.2729   4.75834e-14  
1 1 1 -22 0  15 o 12 1.21183      0.344672    116.786   0            71.4201   180          85.2132   180          
1 1 1 -22 0  16 o 2  2.52112      0.493883    457.449   0            144.593   180          274.558   180          
1 1 1 -22 0  17 o 2  2.95003      0.516871    98.9928   0            58.7384   180          74.2146   180          
1 1 1 -22 0  18 o 6  9.02799      1.4922      425.559   0            716.146   0            165.223   0            
1 1 1 -22 0  19 o 1  93.0188      3.51664     2038.41   0            3518.75   0            839.685   0            
1 1 1 -22 0  20 o 17 17.9019      1.41416     537.742   180          1781.4    180          645.517   180          
1 1 1 -22 0  21 o 13 7.25328      0.958796    714.448   0            804.112   0            75.2165   0            
1 1 1 -22 0  22 o 10 3.71437      0.587683    652.405   180          339.62    180          113.598   2.79943e-14  
1 1 1 -22 0  23 o 2  5.07748      0.692513    116.59    180          ?         ?            ?         ?            
1 1 1 -22 0  24 o 17 2.02216      1.15797     152.648   0            ?         ?            ?         ?            
1 1 1 -22 2  1  f 0  78.94        2.43043     2224.34   -131.296     2050.22   -131.296     43.7045   -131.296     
1 1 1 -22 2  2  o 16 59.1699      2.22818     1480.96   99.2087      2085.5    99.2087      390.14    99.2087      
1 1 1 -22 2  3  o 14 18.2741      0.815952    662.065   -35.7116     11.0868   -35.7116     284.778   144.288      
1 1 1 -22 2  4  o 5  53.1124      1.82706     1081.67   137.206      2073.86   137.206      566.134   137.206      
1 1 1 -22 2  5  o 11 45.2756      1.72447     1335.35   55.2909      1352.09   55.2909      99.6131   55.2909      
1 1 1 -22 2  6  o 6  63.9979      2.22629     2135.53   -141.967     2249.08   -141.967     209.433   -141.967     
1 1 1 -22 2  7  o 16 40.7276      1.71784     1872.73   44.6903      1674.77   44.6903      39.5558   44.6903      
1 1 1 -22 2  8  o 12 12.3298      0.794352    1786.97   -160.862     60.7781   19.1377      787.312   19.1377      
1 1 1 -22 2  9  f 0  9.46294      0.75936     506.302   48.8512      182.922   48.8512      121.134   -131.149     
1 1 1 -22 2  10 f 0  10.4478      0.589073    1076.65   35.1391      8.64984   -144.861     450.085   -144.861     
1 1 1 -22 2  11 o 15 1.21836      0.221759    294.715   75.5242      146.609   -104.476     193.183   -104.476     
1 1 1 -22 2  12 o 19 4.51798      0.387395    898.247   172.52       64.228    172.52       328.348   -7.48025     
1 1 1 -22 2  13 o 11 35.7297      1.35748     1950.48   8.52049      1584.86   8.52049      8.24663   8.52049      
1 1 1 -22 2  14 o 13 46.8687      1.75253     1569.27   158.076      2264.05   158.076      485.638   158.076      
1 1 1 -22 2  15 o 6  38.1912      1.3904      1622.78   8.78538      1723.14   8.78538      165.274   8.78538      
1 1 1 -22 2  16 o 16 14.2852      0.922828    111.404   -54.4867     250.763   -54.4867     75.6984   -54.4867     
1 1 1 -22 2  17 f 0  20.0817      0.877297    1220.77   172.589      1161.35   172.589      26.5873   172.589      
1 1 1 -22 2  18 f 0  8.69921      0.588799    168.021   -158.962     326.173   -158.962     87.0657   -158.962     
1 1 1 -22 2  19 f 0  30.1698      1.24863     642.193   -26.7226     2214.17   -26.7226     817.077   -26.7226     
1 1 1 -22 2  20 o 3  29.9091      1.44896     1190.88   -178.452     1820.07   -178.452     365.469   -178.452     
1 1 1 -22 2  21 o 11 0.392429     0.260165    417.921   -114.019     305.392   65.9813      342.969   65.9813      
1 1 1 -22 2  22 o 14 10.1572      0.774954    462.407   179.642      1202.78   179.642      403.554   179.642      
1 1 1 -22 2  23 o 6  6.31421      0.684465    124.482   -174.17      ?         ?            ?         ?            
1 1 1 -22 2  24 f 0  10.7039      0.677571    635.805   26.0572      ?         ?            ?         ?            
1 1 1 -22 4  1  o 18 32.9219      1.56942     964.32    45.1788      1294.74   45.1788      234.103   45.1788      
1 1 1 -22 4  2  o 19 22.6855      1.13745     741.88    -119.418     690.07    -119.418     27.2297   -119.418     
1 1 1 -22 4  3  o 6  68.5034      1.87366     2346.29   20.8299      2328.92   20.8299      161.003   20.8299      
1 1 1 -22 4  4  o 19 28.1825      1.14439     887.77    -73.2436     1270.73   -73.2436     256.63    -73.2436     
1 1 1 -22 4  5  o 4  28.6031      1.14705     1174.8    80.1573      1313.33   80.1573      157.01    80.1573      
1 1 1 -22 4  6  o 2  22.8271      1.41267     958.848   109.495      1272.6    109.495      230.097   109.495      
1 1 1 -22 4  7  o 4  66.0835      2.48828     2114.25   -39.1886     2575.23   -39.1886     397.248   -39.1886     
1 1 1 -22 4  8  o 13 12.0494      0.637966    790.603   -117.979     786.588   -117.979     63.4987   -117.979     
1 1 1 -22 4  9  o 2  15.2536      0.775178    1096.95   -169.228     999.368   -169.228     48.2779   -169.228     
1 1 1 -22 4  10 f 0  16.2468      0.709714    1338.02   -73.5428     675.423   -73.5428     204.542   106.457      
1 1 1 -22 4  11 o 19 49.6001      1.91688     1757.09   -4.15007     2269.8    -4.15007     430.304   -4.15007     
1 1 1 -22 4  12 o 13 26.0096      1.00908     361.766   -112.245     1409.05   -112.245     559.05    -112.245     
1 1 1 -22 4  13 o 4  8.63832      0.512683    1154.88   136.883      117.126   136.883      416.076   -43.1171     
1 1 1 -22 4  14 o 2  32.5119      1.38505     1616.77   30.1228      1513.8    30.1228      67.2102   30.1228      
1 1 1 -22 4  15 o 18 3.79596      0.422554    199.905   -102.655     152.502   77.3448      164.849   77.3448      
1 1 1 -22 4  16 o 16 3.40632      0.358616    560.246   151.707      72.6877   -28.293      290.143   -28.293      
1 1 1 -22 4  17 o 13 12.9143      0.767991    1328.53   -130.185     475.051   -130.185     364.759   49.8149      
1 1 1 -22 4  18 o 18 2.22609      0.363109    177.717   -52.6384     49.1855   127.362      104.765   127.362      
1 1 1 -22 4  19 o 9  9.37224      0.63429     185.627   34.334       695.508   34.334       263.324   34.334       
1 1 1 -22 4  20 o 19 10.8626      0.727892    494.862   -77.3258     1034.93   -77.3258     290.499   -77.3258     
1 1 1 -22 4  21 o 14 1.65156      0.346193    500.197   116.172      80.2685   116.172      181.149   -63.8279     
1 1 1 -22 4  22 o 2  9.59946      0.726783    154.867   -29.2013     ?         ?            ?         ?            
1 1 1 -22 4  23 o 17 1.40484      0.325403    172.433   -79.4925     ?         ?            ?         ?            
1 1 1 -22 4  24 o 4  0.420701     0.291709    235.228   12.4929      ?         ?            ?         ?            
1 1 1 -22 6  1  o 2  18.2819      1.44367     1467      71.4097      898.572   71.4097      166.589   -108.59      
1 1 1 -22 6  2  o 13 36.7225      1.54907     1860.61   76.3218      1556.56   76.3218      2.48641   -103.678     
1 1 1 -22 6  3  o 19 39.4663      1.815       1363.48   -12.8935     1819.11   -12.8935     338.53    -12.8935     
1 1 1 -22 6  4  o 8  12.4206      0.651748    1612.25   -88.2786     317.108   -88.2786     514.115   91.7214      
1 1 1 -22 6  5  o 13 2.84787      0.404118    986.279   -139.323     ?         ?            ?         ?            
1 1 1 -22 6  6  o 10 6.77896      0.545648    933.267   51.6593      207.658   51.6593      280.071   -128.341     
1 1 1 -22 6  7  o 16 2.52645      0.542344    559.239   -163.322     210.545   16.6776      333.009   16.6776      
1 1 1 -22 6  8  f 0  9.33766      0.709023    729.107   129.584      38.9509   129.584      274.49    -50.4157     
1 1 1 -22 6  9  o 18 47.7815      1.90345     1712.87   51.6766      2135.63   51.6766      381.393   51.6766      
1 1 1 -22 6  10 o 3  35.0558      1.47206     1409.31   -22.1421     1948.72   -22.1421     407.945   -22.1421     
1 1 1 -22 6  11 o 2  1.42012      0.360814    372.111   127.992      ?         ?            ?         ?            
1 1 1 -22 6  12 o 9  10.1702      0.558156    680.065   -56.7163     560.556   -56.7163     5.70799   123.284      
1 1 1 -22 6  13 o 3  24.3801      1.12294     1186.52   114.047      1390.2    114.047      178.205   114.047      
1 1 1 -22 6  14 o 3  5.5727       0.467263    207.126   -170.894     ?         ?            ?         ?            
1 1 1 -22 6  15 o 14 21.7121      0.95228     1440.8    6.43874      1090.13   6.43874      109.059   -173.561     
1 1 1 -22 6  16 o 13 5.59137      0.516334    607.29    -155.471     338.666   -155.471     105.551   24.5289      
1 1 1 -22 6  17 o 1  2.85434      0.412593    867.669   155.82       82.0719   -24.1802     432.557   -24.1802     
1 1 1 -22 6  18 o 9  11.237       1.12584     794.772   -95.2597     955.21    -95.2598     115.58    -95.2598     
1 1 1 -22 6  19 o 2  0.455998     0.279291    542.585   52.7542      495.133   -127.246     496.34    -127.246     
1 1 1 -22 6  20 o 13 2.55788      0.391392    354.8     -25.8592     198.678   -25.8592     57.7181   154.141      
1 1 1 -22 6  21 o 6  6.94864      0.559055    558.71    22.1554      ?         ?            ?         ?            
1 1 1 -22 6  22 o 8  2.9777       0.457348    266.411   43.8248      ?         ?            ?         ?            
1 1 1 -22 6  23 o 18 1.3453       0.308167    218.273   -80.829      ?         ?            ?         ?            
1 1 1 -22 8  1  o 13 2.79547      0.434633    1188.31   37.3349      349.077   -142.665     651.783   -142.665     
1 1 1 -22 8  2  o 7  25.6771      1.18288     1572.72   34.0165      1230.26   34.0165      16.3355   -145.984     
1 1 1 -22 8  3  o 18 5.47218      0.412235    716.51    -138.236     128.907   -138.236     222.964   41.7638      
1 1 1 -22 8  4  o 19 12.475       0.721535    1114.87   -110.79      715.571   -110.79      88.9585   69.2104      
1 1 1 -22 8  5  o 11 8.82802      0.595995    1559.07   105.566      47.0125   105.566      601.198   -74.4336     
1 1 1 -22 8  6  o 7  25.1948      0.986986    1754.06   -169.962     1003.34   -169.962     202.983   10.0384      
1 1 1 -22 8  7  o 5  5.80472      0.462298    1155.59   -31.7542     15.8488   148.246      475.545   148.246      
1 1 1 -22 8  8  o 6  5.53096      0.479114    1145.75   -171.152     ?         ?            ?         ?            
1 1 1 -22 8  9  o 1  6.83554      0.759091    1302.59   -142.197     83.233    37.8028      587.42    37.8028      
1 1 1 -22 8  10 o 16 2.56612      0.319967    617.585   -3.41084     397.814   176.589      464.589   176.589      
1 1 1 -22 8  11 o 12 7.60379      0.564568    656.352   3.40998      337.755   3.40998      121.084   -176.59      
1 1 1 -22 8  12 o 3  25.2358      1.34899     1484.87   156.222      1184.78   156.222      76.6901   -23.778      
1 1 1 -22 8  13 o 1  16.7697      1.17668     697.906   92.248       1221.95   92.248       294.06    92.248       
1 1 1 -22 8  14 o 13 10.2895      0.624794    960.852   63.3109      647.982   63.3109      111.084   -116.689     
1 1 1 -22 8  15 o 15 21.2229      1.12196     816.929   -7.6982      1607.95   -7.6982      435.438   -7.6982      
1 1 1 -22 8  16 o 17 2.66522      0.407342    774.353   128.708      26.78     -51.2923     364.762   -51.2923     
1 1 1 -22 8  17 o 13 4.87026      0.478868    598.4     94.9388      403.791   94.9388      72.541    -85.0612     
1 1 1 -22 8  18 o 16 4.64502      0.488555    304.194   -44.1834     524.709   -44.1834     124.46    -44.1834     
1 1 1 -22 8  19 o 14 1.37385      0.337885    521.686   -12.3164     21.189    -12.3164     213.103   167.684      
1 1 1 -22 8  20 o 11 2.66233      0.47136     305.355   -113.348     ?         ?            ?         ?            
1 1 1 -22 8  21 f 0  1.09116      0.315875    203.855   -15.6339     ?         ?            ?         ?            
1 1 1 -22 8  22 o 11 0.297224     0.285618    133.493   87.5878      ?         ?            ?         ?            
1 1 1 -22 10 1  o 13 1.08625      0.270525    456.279   12.0872      292.35    -167.913     339.768   -167.913     
1 1 1 -22 10 2  o 2  10.5063      0.605499    566.03    99.1598      553.373   99.1598      36.2906   99.1598      
1 1 1 -22 10 3  o 4  13.0538      0.655665    1058.8    -155.509     635.031   -155.509     134.047   24.491       
1 1 1 -22 10 4  f 0  7.20257      0.984358    539.109   174.448      260.808   174.448      101.206   -5.55212     
1 1 1 -22 10 5  o 10 13.4075      0.692275    780.721   33.2297      791.465   33.2297      56.8927   33.2297      
1 1 1 -22 10 6  f 0  6.63261      0.494911    911.111   67.9573      174.375   67.9573      313.122   -112.043     
1 1 1 -22 10 7  o 7  1.61375      0.534766    269.249   99.9397      175.168   -80.0603     207.415   -80.0603     
1 1 1 -22 10 8  o 18 2.02337      0.322009    635.031   106.497      305.347   -73.5025     438.501   -73.5025     
1 1 1 -22 10 9  o 19 27.7709      1.32006     1643.43   -82.9771     1218.45   -82.9771     135.825   97.0229      
1 1 1 -22 10 10 o 8  2.89874      0.421655    157.834   17.0217      115.875   -162.978     129.606   -162.978     
1 1 1 -22 10 11 o 14 7.37201      0.572626    770.059   100.678      262.638   100.678      217.291   -79.3216     
1 1 1 -22 10 12 o 7  4.22551      0.419216    405.104   67.8593      217.966   67.8593      73.8009   -112.141     
1 1 1 -22 10 13 o 1  13.3057      0.880425    954.152   16.4101      885.321   16.4101      11.227    16.4101      
1 1 1 -22 10 14 o 16 12.4258      0.762404    702.208   -145.819     1112.78   -145.819     236.021   -145.819     
1 1 1 -22 10 15 o 4  1.17796      0.290356    181.196   -90.1263     139.976   89.8737      153.121   89.8737      
1 1 1 -22 10 16 o 14 8.97475      0.905256    1048.52   35.6756      628.526   35.6756      158.096   -144.324     
1 1 1 -22 10 17 o 3  9.84639      0.712514    449.435   12.9101      1139.72   12.9101      377.775   12.9101      
1 1 1 -22 10 18 o 18 0.281893     0.32172     399.739   -54.7076     ?         ?            ?         ?            
1 1 1 -22 10 19 o 1  3.79965      0.42741     421.64    -96.4482     ?         ?            ?         ?            
1 1 1 -22 10 20 o 11 1.10762      0.371727    82.3485   -145.631     ?         ?            ?         ?            
1 1 1 -22 12 1  o 9  5.52488      0.488196    351.827   -152.141     265.641   -152.141     26.8193   27.8594      
1 1 1 -22 12 2  o 9  4.03818      0.565577    388.515   143.465      42.6679   143.465      154.936   -36.5353     
1 1 1 -22 12 3  o 14 14.787       0.721776    896.177   -105.005     971.774   -105.005     79.4687   -105.005     
1 1 1 -22 12 4  o 8  10.7818      0.786073    819.83    132.071      741.737   132.071      0.596146  -47.9293     
1 1 1 -22 12 5  o 4  1.15285      0.321148    823       -75.1353     470.409   104.865      607.59    104.865      
1 1 1 -22 12 6  o 9  2.00009      0.322995    177.042   102.76       52.9233   -77.2404     106.436   -77.2404     
1 1 1 -22 12 7  o 9  1.85673      0.362532    399.662   115.442      90.0699   -64.558      225.352   -64.558      
1 1 1 -22 12 8  o 8  3.97025      0.51387     829.414   59.7498      80.643    -120.25      414.701   -120.25      
1 1 1 -22 12 9  o 11 2.52021      0.376345    1172.36   -174.049     348.488   5.95098      705.223   5.95098      
1 1 1 -22 12 10 o 15 1.39198      0.320576    142.006   179.387      23.35     -0.613061    76.4021   -0.613061    
1 1 1 -22 12 11 o 19 2.42903      0.50893     360.765   -54.1102     34.2543   -54.1102     148.305   125.89       
1 1 1 -22 12 12 o 9  2.89451      0.437869    490.371   -133.365     263.244   -133.365     92.7248   46.6353      
1 1 1 -22 12 13 f 0  2.77791      0.445357    641.353   -28.6791     192.868   -28.6791     190.876   151.321      
1 1 1 -22 12 14 o 10 0.381509     0.451171    220.36    138.491      103.83    -41.5087     146.421   -41.5087     
1 1 1 -22 12 15 o 10 -0.0126615   0.287181    299.351   -8.7097      213.384   171.29       228.642   171.29       
1 1 1 -22 12 16 o 5  3.55409      0.512476    349.206   1.24437      ?         ?            ?         ?            
1 1 1 -22 12 17 o 2  1.53819      0.506972    143.882   111.451      ?         ?            ?         ?            
1 1 1 -22 12 18 o 1  0.549417     0.44786     289.235   -83.3462     ?         ?            ?         ?            
1 1 1 -22 14 1  o 13 1.10409      0.432542    448.254   26.0693      157.939   -153.931     284.618   -153.931     
1 1 1 -22 14 2  o 7  3.32856      0.534109    695.671   -136.744     137.282   -136.744     250.536   43.2558      
1 1 1 -22 14 3  o 5  4.45188      0.613061    444.845   161.754      275.942   161.754      66.1548   -18.2456     
1 1 1 -22 14 4  o 19 2.94495      0.421079    205.956   131.6        196.668   131.6        3.8493    131.6        
1 1 1 -22 14 5  o 3  1.88483      0.423774    260.343   -37.7865     90.7032   -37.7865     73.8973   142.213      
1 1 1 -22 14 6  o 2  1.25072      0.347352    393.723   114.51       12.0589   -65.4904     185.56    -65.4904     
1 1 1 -22 14 7  o 16 -0.0188082   0.250549    274.115   -150.901     ?         ?            ?         ?            
1 1 1 -22 14 8  o 5  0.527545     0.297606    521.83    -8.77622     331.5     171.224      397.281   171.224      
1 1 1 -22 14 9  o 7  0.385972     0.46261     351.567   -82.2322     160.566   97.7678      232.163   97.7678      
1 1 1 -22 14 10 o 9  2.86512      0.569093    216.073   85.2237      368.17    85.2237      93.8235   85.2237      
1 1 1 -22 14 11 o 3  0.288339     0.321721    536.382   166.06       256.904   -13.9404     345.263   -13.9404     
1 1 1 -22 14 12 o 10 1.49888      0.388635    510.256   137.993      144.375   137.993      129.409   -42.0071     
1 1 1 -22 14 13 f 0  1.01073      0.349751    205.521   -47.4893     ?         ?            ?         ?            
1 1 1 -22 14 14 o 7  0.0932465    0.299446    60.5544   -163.3       ?         ?            ?         ?            
1 1 1 -22 16 1  o 13 0.582548     0.355494    571.803   -84.4843     182.667   95.5157      317.619   95.5157      
1 1 1 -22 16 2  o 11 1.01983      0.438899    518.858   8.20228      2.73288   -171.798     206.595   -171.798     
1 1 1 -22 16 3  o 14 1.13063      0.331835    454.855   117.897      85.3457   117.897      136.873   -62.1031     
1 1 1 -22 16 4  o 18 0.758721     0.35081     95.9977   -77.2969     0.733985  -77.2969     37.4029   102.703      
1 1 1 -22 16 5  o 9  2.61965      0.512901    312.866   16.0078      470.659   16.0078      112.765   16.0078      
1 1 1 -22 16 6  o 13 0.473513     0.355362    208.602   137.394      16.3014   -42.6057     89.3705   -42.6057     
1 1 1 -22 16 7  o 10 0.436195     0.354486    147.611   -159.954     13.9796   20.046       63.8637   20.046       
1 1 1 -22 16 8  o 6  1.21617      0.368165    392.444   -50.1842     ?         ?            ?         ?            
1 1 1 -22 16 9  o 3  0.308969     0.354062    405.032   -69.0152     ?         ?            ?         ?            
1 1 1 -21 1  1  o 15 156.37       3.95323     3325.28   91.3231      3647.39   91.3231      322.133   91.3231      
1 1 1 -21 1  2  o 5  97.5147      2.67633     2808.57   -38.1037     2320.75   -38.1037     105.409   141.896      
1 1 1 -21 1  3  f 0  108.19       2.44003     2358.78   159.805      3161.48   159.805      525.061   159.805      
1 1 1 -21 1  4  o 15 139.279      3.45406     2523.8    64.1268      3784.09   64.1268      774.755   64.1268      
1 1 1 -21 1  5  o 1  187.392      4.78194     3676.08   -113.489     4152.66   -113.489     469.469   -113.489     
1 1 1 -21 1  6  o 19 102.997      2.58599     2801.01   112.245      2865.83   112.245      222.962   112.245      
1 1 1 -21 1  7  o 19 1.29305      0.23015     1377.19   -127         ?         ?            ?         ?            
1 1 1 -21 1  8  o 9  5.38461      0.444167    636.639   -173.737     333.904   6.2631       437.738   6.2631       
1 1 1 -21 1  9  o 12 34.9005      1.26712     1105.6    105.889      1791.92   105.889      429.047   105.889      
1 1 1 -21 1  10 o 17 10.8177      0.644417    391.083   7.52068      611.648   7.52068      142.61    7.52068      
1 1 1 -21 1  11 o 9  9.48286      0.558811    636.964   -49.7753     370.474   -49.7753     75.9755   130.225      
1 1 1 -21 1  12 o 3  3.17923      0.605966    700.199   82.7016      ?         ?            ?         ?            
1 1 1 -21 1  13 o 7  3.57989      0.355397    609.234   -66.1986     ?         ?            ?         ?            
1 1 1 -21 1  14 o 18 71.9548      2.64704     1397.93   41.332       3283.08   41.332       1071.74   41.332       
1 1 1 -21 1  15 o 7  5.5605       0.424642    526.368   -38.2419     48.9514   141.758      247.365   141.758      
1 1 1 -21 1  16 o 8  16.2316      0.89504     910.583   -14.0619     820.018   -14.0619     7.65708   -14.0619     
1 1 1 -21 1  17 o 2  3.71737      0.400725    246.93    179.754      12.1253   179.754      105.784   -0.245842    
1 1 1 -21 1  18 o 2  0.555284     0.252199    541.944   160.409      ?         ?            ?         ?            
1 1 1 -21 1  19 o 2  11.3179      0.703481    444.098   125.524      980.269   125.524      289.768   125.524      
1 1 1 -21 1  20 o 9  23.4885      1.10313     1198.88   -28.2212     1494.2    -28.2212     200.494   -28.2212     
1 1 1 -21 1  21 o 13 8.43049      0.613398    482.264   154.708      960.769   154.708      259.763   154.708      
1 1 1 -21 1  22 o 7  2.55613      0.391779    283.489   -1.5533      200.087   -1.5533      23.0779   178.447      
1 1 1 -21 1  23 o 15 2.43714      0.498897    376.706   116.556      ?         ?            ?         ?            
1 1 1 -21 1  24 o 19 0.762398     0.322707    438.532   -128.804     ?         ?            ?         ?            
1 1 1 -21 3  1  o 5  96.7326      2.63447     3017.29   -2.35641     2273.33   -2.35641     181.383   177.644      
1 1 1 -21 3  2  o 5  11.1224      0.550045    674.287   124.286      199.623   -55.714      394.021   -55.714      
1 1 1 -21 3  3  o 19 11.547       0.806454    1408.51   -171.135     ?         ?            ?         ?            
1 1 1 -21 3  4  o 2  1.73154      0.229628    341.268   160.913      ?         ?            ?         ?            
1 1 1 -21 3  5  o 18 19.0524      1.08084     384.905   -55.8031     460.444   -55.8031     64.9615   -55.8031     
1 1 1 -21 3  6  o 7  70.9168      2.26726     2058.91   -36.5218     2548.82   -36.5218     395.297   -36.5218     
1 1 1 -21 3  7  o 5  3.59014      0.404578    276.32    110.254      124.912   -69.7461     179.851   -69.7461     
1 1 1 -21 3  8  o 3  16.2207      0.87149     1003.06   18.3403      935.334   18.3403      44.201    18.3403      
1 1 1 -21 3  9  o 12 11.1468      0.646505    1026.68   -176.449     562.729   -176.449     147.62    3.55083      
1 1 1 -21 3  10 f 0  30.6385      1.27435     394.441   97.8382      1448.11   97.8382      561.761   97.8382      
1 1 1 -21 3  11 o 8  47.3629      1.6052      820.112   -123.722     2705.39   -123.722     1020.92   -123.722     
1 1 1 -21 3  12 o 17 33.1358      1.36989     1530.65   -80.2245     1505.66   -80.2245     139.544   -80.2245     
1 1 1 -21 3  13 o 1  2.38294      0.262381    575.447   50.7843      171.177   -129.216     318.005   -129.216     
1 1 1 -21 3  14 o 13 63.3583      1.99955     2246.46   -69.0268     2266.4    -69.0268     198.707   -69.0268     
1 1 1 -21 3  15 o 13 18.5606      1.24876     1188.92   -47.2685     467.957   -47.2685     281.703   132.732      
1 1 1 -21 3  16 o 7  46.127       2.00099     1681.68   59.6236      2018.81   59.6236      254.513   59.6236      
1 1 1 -21 3  17 o 6  5.43281      0.49383     380.232   29.9522      75.7321   -150.048     210.542   -150.048     
1 1 1 -21 3  18 o 9  22.379       1.04498     805.653   -171.841     1644.93   -171.841     458.469   -171.841     
1 1 1 -21 3  19 o 2  1.06721      0.272337    117.857   -49.0223     84.9848   130.978      95.8051   130.978      
1 1 1 -21 3  20 o 17 10.3826      0.568291    660.049   -62.3275     883.501   -62.3275     139.246   -62.3275     
1 1 1 -21 3  21 o 3  7.57452      0.973127    494.975   -164.484     768.637   -164.484     160.588   -164.484     
1 1 1 -21 3  22 o 9  10.2724      0.73607     521.372   -177.465     1193.77   -177.465     377.322   -177.465     
1 1 1 -21 3  23 o 13 4.64377      0.609018    396.465   -7.36678     ?         ?            ?         ?            
1 1 1 -21 3  24 o 2  4.85236      0.494779    286.742   -82.1527     ?         ?            ?         ?            
1 1 1 -21 5  1  o 6  52.7328      2.28114     1796.48   51.2103      2123.74   51.2103      297.356   51.2103      
1 1 1 -21 5  2  o 18 22.307       1.17126     251.128   -11.1988     160.094   -11.1988     26.7888   168.801      
1 1 1 -21 5  3  o 17 40.0052      1.85216     1546.52   -111.571     1877.27   -111.571     281.504   -111.571     
1 1 1 -21 5  4  o 8  3.39352      0.459368    949.926   -66.0843     354.146   113.916      579.839   113.916      
1 1 1 -21 5  5  o 8  23.2587      1.70908     1362.11   52.2313      1110.33   52.2313      20.3937   -127.769     
1 1 1 -21 5  6  o 10 0.931185     0.256411    404.687   -157.934     ?         ?            ?         ?            
1 1 1 -21 5  7  o 15 60.3661      2.29497     2355.26   28.3932      2233.63   28.3932      135.332   28.3932      
1 1 1 -21 5  8  o 5  1.28297      0.28841     752.978   61.6373      474.44    -118.363     547.293   -118.363     
1 1 1 -21 5  9  o 6  15.1306      0.723432    498.179   -111.293     737.795   -111.293     166.562   -111.293     
1 1 1 -21 5  10 o 19 25.7648      0.950888    1080.33   11.524       1391.23   11.524       261.717   11.524       
1 1 1 -21 5  11 o 10 21.2914      0.989932    295.958   28.6932      1070.18   28.6932      416.402   28.6932      
1 1 1 -21 5  12 o 3  2.44267      0.368293    569.621   130.272      354.732   -49.7277     409.148   -49.7277     
1 1 1 -21 5  13 o 19 40.062       1.40347     2274.65   -0.865635    1464.29   -0.865635    222.624   179.134      
1 1 1 -21 5  14 o 18 3.08861      0.295998    52.0433   -126.76      14.554    53.2399      29.9794   53.2399      
1 1 1 -21 5  15 o 14 15.6479      1.02041     582.094   -57.4857     982.407   -57.4857     229.522   -57.4857     
1 1 1 -21 5  16 o 3  29.1003      1.28127     964.293   -19.7125     1736.48   -19.7125     430.32    -19.7125     
1 1 1 -21 5  17 o 2  11.1348      0.810721    697.955   -95.9186     877.677   -95.9186     123.38    -95.9186     
1 1 1 -21 5  18 f 0  20.5179      1.05841     1611.44   123.77       928.332   123.77       264.02    -56.23       
1 1 1 -21 5  19 o 12 10.6597      0.793855    1075.85   -95.762      693.765   -95.762      145.318   84.238       
1 1 1 -21 5  20 o 4  3.47937      0.436108    428.094   -7.22712     178.175   -7.22712     105.888   172.773      
1 1 1 -21 5  21 o 14 1.22596      0.305927    396.808   -17.7467     2.52545   -17.7467     169.319   162.253      
1 1 1 -21 5  22 o 12 1.47693      0.317208    219.348   177.8        ?         ?            ?         ?            
1 1 1 -21 5  23 o 17 2.17002      0.465655    138.133   3.21553      ?         ?            ?         ?            
1 1 1 -21 7  1  o 9  13.1127      0.768353    1421.43   176.133      615.037   176.133      278.494   -3.86749     
1 1 1 -21 7  2  f 0  3.13497      0.318342    855.558   139.222      327.741   -40.778      516.343   -40.778      
1 1 1 -21 7  3  o 13 10.3728      0.758455    1186.94   14.7979      541.837   -165.202     758.619   -165.202     
1 1 1 -21 7  4  o 12 50.8058      1.78561     1449.24   122.045      2580.61   122.045      697.533   122.045      
1 1 1 -21 7  5  o 16 2.57651      0.329869    980.277   -90.9257     283.597   89.0743      540.286   89.0743      
1 1 1 -21 7  6  o 8  10.1332      0.674745    1241.94   -90.0296     260.711   -90.0296     371.017   89.9704      
1 1 1 -21 7  7  o 10 2.46084      0.291901    425.499   -141.842     165.609   38.1577      253.583   38.1577      
1 1 1 -21 7  8  o 10 5.70717      0.492285    525.362   56.0865      113.211   56.0865      153.898   -123.913     
1 1 1 -21 7  9  o 13 20.2527      0.936569    1382.44   151.783      1054.28   151.783      30.1917   -28.2174     
1 1 1 -21 7  10 o 11 3.9114       0.963584    895.189   151.688      148.775   -28.3117     441.424   -28.3117     
1 1 1 -21 7  11 o 11 10.082       0.628395    1184.18   -136.491     332.146   -136.491     332.899   43.5087      
1 1 1 -21 7  12 o 4  7.97365      0.513342    969.052   78.0144      61.2757   78.0144      391.131   -101.986     
1 1 1 -21 7  13 o 3  3.15912      0.36437     469.011   78.2809      248.52    -101.719     334.126   -101.719     
1 1 1 -21 7  14 o 18 4.39606      0.479912    567.058   57.1729      426.045   -122.827     470.284   -122.827     
1 1 1 -21 7  15 o 13 7.56801      0.614964    1143.37   -109.87      269.311   -109.87      383.556   70.13        
1 1 1 -21 7  16 o 15 27.3923      1.18476     1408.72   -20.7764     1466.21   -20.7764     97.5659   -20.7764     
1 1 1 -21 7  17 o 16 4.87836      0.735797    784.89    74.6295      241.752   74.6295      235.224   -105.37      
1 1 1 -21 7  18 o 13 9.94845      0.718979    676.488   138.785      950.555   138.785      164.952   138.785      
1 1 1 -21 7  19 o 19 12.4855      0.882287    902.537   -85.8629     1012.79   -85.8629     98.9273   -85.8629     
1 1 1 -21 7  20 o 2  2.09924      0.382512    220.694   -96.871      254.479   -96.871      33.7401   -96.871      
1 1 1 -21 7  21 o 17 0.564969     0.304698    147.081   -85.4059     ?         ?            ?         ?            
1 1 1 -21 7  22 o 11 0.874269     0.305675    334.651   86.5865      ?         ?            ?         ?            
1 1 1 -21 9  1  o 2  10.3964      0.827479    656.414   136.574      404.325   136.574      62.3596   -43.4256     
1 1 1 -21 9  2  o 4  9.06339      0.580353    763.328   -4.06727     578.758   -4.06727     18.3842   175.933      
1 1 1 -21 9  3  o 15 7.18255      0.412682    657.77    -117.396     206.024   -117.396     162.749   62.6036      
1 1 1 -21 9  4  o 15 16.907       0.841206    943.783   67.696       1028.78   67.696       131.432   67.696       
1 1 1 -21 9  5  o 8  8.16508      0.487283    117.106   1.61015      50.1066   1.61015      22.8173   -178.39      
1 1 1 -21 9  6  o 8  12.3564      1.03291     721.15    12.196       663.639   12.196       33.6215   12.196       
1 1 1 -21 9  7  o 14 0.435269     0.246177    491.774   101.186      ?         ?            ?         ?            
1 1 1 -21 9  8  o 11 33.4747      1.70851     1506.54   -24.0114     1429.42   -24.0114     68.6718   -24.0114     
1 1 1 -21 9  9  o 14 2.84613      0.290045    668.774   45.3988      341.043   -134.601     463.685   -134.601     
1 1 1 -21 9  10 o 4  17.2501      0.978338    1223.68   -148.489     944.288   -148.489     74.9069   31.5112      
1 1 1 -21 9  11 o 12 26.3035      1.16254     1098.78   -106.17      1470.94   -106.17      238.036   -106.17      
1 1 1 -21 9  12 o 1  1.07048      0.284567    420.913   -155.11      306.303   24.8904      344.278   24.8904      
1 1 1 -21 9  13 o 11 9.17235      0.639927    828.766   50.4317      662.108   50.4317      43.8097   -129.568     
1 1 1 -21 9  14 o 4  2.38215      0.522422    438.019   -9.3035      82.1861   170.697      238.71    170.697      
1 1 1 -21 9  15 o 18 -0.379909    0.162423    217.563   78.1422      ?         ?            ?         ?            
1 1 1 -21 9  16 o 2  5.11193      0.56627     562.9     -106.49      504.125   -106.49      6.06843   73.5103      
1 1 1 -21 9  17 f 0  1.86987      0.366552    519.595   -113.207     89.0194   66.7926      280.589   66.7926      
1 1 1 -21 9  18 o 14 1.59459      0.326798    329.18    72.9688      152.504   72.9688      66.1277   -107.031     
1 1 1 -21 9  19 o 6  2.30565      0.362472    321.167   30.9187      356.59    30.9187      48.2578   30.9187      
1 1 1 -21 9  20 o 14 0.768863     0.312625    62.9576   -87.1277     ?         ?            ?         ?            
1 1 1 -21 9  21 o 18 4.93639      0.524692    507.802   -106.604     ?         ?            ?         ?            
1 1 1 -21 11 1  o 19 8.12967      0.74428     665.556   86.7097      373.572   86.7097      110.162   -93.2903     
1 1 1 -21 11 2  o 19 1.45713      0.318582    682.295   -6.58562     409.868   173.414      509.57    173.414      
1 1 1 -21 11 3  o 3  3.13716      0.33171     1002.13   163.611      ?         ?            ?         ?            
1 1 1 -21 11 4  o 18 38.4965      1.39173     1126.21   -136.026     2140.14   -136.026     563.931   -136.026     
1 1 1 -21 11 5  o 9  2.50893      0.384049    336.731   -131.766     119.504   48.2344      211.765   48.2344      
1 1 1 -21 11 6  o 15 3.92801      0.535833    557.747   2.04486      3.35308   2.04486      251.084   -177.955     
1 1 1 -21 11 7  o 6  7.80288      0.701358    695.584   7.98238      294.917   7.98238      168.398   -172.018     
1 1 1 -21 11 8  f 0  2.39608      0.479238    292.021   -63.2799     46.484    116.72       155.764   116.72       
1 1 1 -21 11 9  o 19 8.62608      0.546605    358.004   51.7236      591.563   51.7236      133.77    51.7236      
1 1 1 -21 11 10 o 1  2.86724      0.41563     913.963   40.1269      270.25    -139.873     547.58    -139.873     
1 1 1 -21 11 11 o 17 6.089        0.565026    965.818   162.491      311.287   162.491      280.495   -17.509      
1 1 1 -21 11 12 o 7  0.84162      0.50318     562.438   71.7304      447.86    -108.27      479.504   -108.27      
1 1 1 -21 11 13 o 6  3.37625      0.46181     230.494   -103.589     177.707   -103.589     16.7611   76.4111      
1 1 1 -21 11 14 o 5  1.66337      0.375955    333.883   87.4931      72.4806   87.4931      116.47    -92.5069     
1 1 1 -21 11 15 o 14 0.800948     0.383897    372.545   -67.3603     237.476   112.64       284.473   112.64       
1 1 1 -21 11 16 o 18 4.00779      0.503022    214.782   -164.977     554.483   -164.977     186.764   -164.977     
1 1 1 -21 11 17 o 6  0.994561     0.294152    115.063   47.9553      48.7592   47.9553      21.6407   -132.045     
1 1 1 -21 11 18 o 18 1.36024      0.433477    239.233   167.039      ?         ?            ?         ?            
1 1 1 -21 11 19 o 5  0.857709     0.336536    296.718   -44.9943     ?         ?            ?         ?            
1 1 1 -21 13 1  o 1  2.30589      0.413884    393.034   -26.8865     14.6416   -26.8865     170.035   153.114      
1 1 1 -21 13 2  f 0  2.61538      0.492935    445.551   17.363       59.8229   17.363       171.157   -162.637     
1 1 1 -21 13 3  o 18 9.73471      0.86585     486.326   38.1432      906.03    38.1432      233.472   38.1432      
1 1 1 -21 13 4  o 12 0.713773     0.275893    194.431   174.748      ?         ?            ?         ?            
1 1 1 -21 13 5  o 12 8.5002       0.607044    1121.52   96.5572      366.918   96.5572      324.129   -83.4428     
1 1 1 -21 13 6  o 2  3.35772      0.401665    399.031   -126.294     102.106   -126.294     130.088   53.7057      
1 1 1 -21 13 7  o 9  1.6251       0.404241    253.075   -61.204      32.9183   118.796      131.837   118.796      
1 1 1 -21 13 8  o 11 0.42395      0.386585    532.595   -122.843     373.611   57.1574      430.725   57.1574      
1 1 1 -21 13 9  o 3  3.03785      0.364343    472.105   -81.2866     274.168   -81.2866     79.5359   98.7134      
1 1 1 -21 13 10 o 5  10.0892      1.00822     752.823   -154.616     918.359   -154.616     115.844   -154.616     
1 1 1 -21 13 11 o 13 5.99295      0.631431    221.556   55.4783      658.601   55.4783      230.273   55.4783      
1 1 1 -21 13 12 f 0  2.13405      0.43151     376.305   51.7207      187.761   51.7207      68.2544   -128.279     
1 1 1 -21 13 13 o 7  1.28349      0.38903     327.336   87.4844      76.917    87.4844      96.3439   -92.5156     
1 1 1 -21 13 14 o 17 1.59755      0.421119    165.979   -46.6382     170.003   -46.6382     19.0194   -46.6382     
1 1 1 -21 13 15 o 9  2.15169      0.443216    388.432   -169.319     ?         ?            ?         ?            
1 1 1 -21 13 16 o 6  1.72178      0.966357    178.053   35.3578      ?         ?            ?         ?            
1 1 1 -21 15 1  o 2  3.46485      0.599963    761.899   164.716      218.408   164.716      225.94    -15.2836     
1 1 1 -21 15 2  o 4  2.4782       0.47463     494.087   -78.5649     238.421   -78.5649     97.8464   101.435      
1 1 1 -21 15 3  o 17 2.86491      0.425421    598.758   -98.0177     263.852   -98.0177     129.802   81.9823      
1 1 1 -21 15 4  o 2  2.79686      0.645376    332.268   -89.3768     340.879   -89.3768     26.5082   -89.3768     
1 1 1 -21 15 5  o 14 0.325356     0.30991     225.218   -69.579      109.704   110.421      151.106   110.421      
1 1 1 -21 15 6  o 6  0.195079     0.259365    439.519   -81.7238     282.288   98.2762      325.681   98.2762      
1 1 1 -21 15 7  o 3  0.577946     0.302682    481.911   64.3969      161.549   -115.603     278.964   -115.603     
1 1 1 -21 15 8  o 11 1.27505      0.422871    192.876   144.461      121.028   144.461      17.1908   -35.5386     
1 1 1 -21 15 9  f 0  0.190497     0.34051     219.41    158.571      ?         ?            ?         ?            
1 1 1 -21 15 10 o 8  -0.14476     0.302325    66.1815   -125.87      39.5032   54.1295      45.6661   54.1295      
1 1 1 -21 15 11 o 9  0.545276     0.436025    80.0078   -11.4781     ?         ?            ?         ?            
1 1 1 -21 15 12 o 7  0.216707     0.385691    171.658   146.235      ?         ?            ?         ?            
1 1 1 -21 17 1  o 15 0.983916     0.416793    57.6358   146.176      60.9564   146.176      8.87921   146.176      
1 1 1 -21 17 2  o 12 1.13372      0.391749    573.404   -90.1481     ?         ?            ?         ?            
1 1 1 -21 17 3  o 16 0.0443502    0.333398    95.3614   -178.25      ?         ?            ?         ?            
1 1 1 -21 17 4  o 4  1.35379      0.392859    194.639   125.203      ?         ?            ?         ?            
1 1 1 -20 0  1  o 9  11.5922      1.09636     578.9     180          282.005   6.20602e-15  406.717   2.15153e-15  
1 1 1 -20 0  2  o 8  554.575      19.0027     6121.07   0            7309.01   0            851.785   0            
1 1 1 -20 0  3  o 5  0.232719     0.223256    1118.94   180          ?         ?            ?         ?            
1 1 1 -20 0  4  f 0  8.6222       0.485994    241.418   180          77.1976   1.26609e-14  146.845   3.32796e-15  
1 1 1 -20 0  5  o 4  26.9474      1.59262     1331.9    180          1059.82   180          58.0425   1.35137e-13  
1 1 1 -20 0  6  o 14 13.8441      1.20844     841.217   180          245.535   180          242.993   1.41068e-14  
1 1 1 -20 0  7  o 10 48.1248      2.98439     850.485   0            2413.75   0            841.429   0            
1 1 1 -20 0  8  o 11 6.30797      0.71961     1173.9    180          188.089   3.03222e-14  594.495   4.79673e-15  
1 1 1 -20 0  9  o 4  1.6666       0.331981    900.647   180          ?         ?            ?         ?            
1 1 1 -20 0  10 o 3  4.4124       0.725335    1033.95   180          17.1355   3.47755e-13  441.761   6.74454e-15  
1 1 1 -20 0  11 o 12 13.7153      1.99531     1192.94   0            676.546   0            153.179   180          
1 1 1 -20 0  12 o 15 46.728       2.18327     1057.89   0            2868.79   0            1006.69   0            
1 1 1 -20 0  13 f 0  9.87508      0.777612    1146.64   180          ?         ?            ?         ?            
1 1 1 -20 0  14 o 19 42.5477      2.03791     976.179   180          2746.52   180          977.205   180          
1 1 1 -20 0  15 o 1  0.653994     0.301641    141.275   0            ?         ?            ?         ?            
1 1 1 -20 0  16 o 13 5.05338      0.691093    486.543   180          192.043   8.60918e-15  309.857   2.6679e-15   
1 1 1 -20 0  17 o 10 0.212033     0.28038     333.859   0            ?         ?            ?         ?            
1 1 1 -20 0  18 o 13 52.9211      3.41553     2010      180          2106.8    180          141.797   180          
1 1 1 -20 0  19 o 6  7.57163      0.648918    305.626   180          573.346   180          148.797   180          
1 1 1 -20 0  20 o 15 27.6055      1.74442     1512.4    180          1534.48   180          78.7381   180          
1 1 1 -20 0  21 o 10 2.52072      0.520836    384.253   0            243.437   0            54.3219   180          
1 1 1 -20 0  22 o 12 -0.68932     0.267816    500.954   0            ?         ?            ?         ?            
1 1 1 -20 0  23 o 11 2.51804      0.554143    124.967   180          ?         ?            ?         ?            
1 1 1 -20 0  24 o 5  14.4446      2.1168      362.971   180          ?         ?            ?         ?            
1 1 1 -20 2  1  o 17 186.908      5.99364     3585.58   -118.308     3791.41   -118.308     284.512   -118.308     
1 1 1 -20 2  2  o 10 92.0239      2.10685     1874.89   84.3144      3038.89   84.3144      678.747   84.3144      
1 1 1 -20 2  3  o 14 263.157      9.15849     3767.14   46.2871      5274.41   46.2871      959.596   46.2871      
1 1 1 -20 2  4  o 11 61.1129      1.96138     1872.74   -178.436     1002.01   -178.436     324.343   1.56396      
1 1 1 -20 2  5  o 14 86.5158      2.24693     2515.53   22.2173      2061.32   22.2173      64.9671   -157.783     
1 1 1 -20 2  6  f 0  58.2271      2.09635     2137.4    -100.066     1966.43   -100.066     62.1907   -100.066     
1 1 1 -20 2  7  o 5  12.5343      0.742764    896.176   120.872      394.203   120.872      185.979   -59.1282     
1 1 1 -20 2  8  o 10 3.36961      0.358713    150.291   -110.1       ?         ?            ?         ?            
1 1 1 -20 2  9  o 6  20.2351      1.24775     1564.99   -121.181     905.987   -121.181     206.864   58.8189      
1 1 1 -20 2  10 o 16 13.0302      0.65419     668.034   97.1459      824.194   97.1459      133.986   97.1459      
1 1 1 -20 2  11 o 6  11.9023      0.624227    1304.48   71.9129      258.56    71.9129      404.167   -108.087     
1 1 1 -20 2  12 o 1  14.8509      0.734496    1173.69   -161.578     409.268   -161.578     267.54    18.4219      
1 1 1 -20 2  13 o 15 2.56143      0.301587    171.196   134.786      ?         ?            ?         ?            
1 1 1 -20 2  14 o 14 4.71087      0.537242    488.74    -20.0196     88.0665   -20.0196     155.948   159.98       
1 1 1 -20 2  15 o 2  10.6294      0.619235    1027.52   -153.759     509.443   -153.759     182.734   26.2406      
1 1 1 -20 2  16 o 12 25.4455      1.44131     488.255   162.529      1507.31   162.529      537.014   162.529      
1 1 1 -20 2  17 o 13 25.9123      1.01535     1082.14   21.5586      1590.37   21.5586      304.481   21.5586      
1 1 1 -20 2  18 o 1  0.721239     0.252868    676.101   -65.8915     ?         ?            ?         ?            
1 1 1 -20 2  19 o 15 5.23767      0.48081     552.256   -159.453     330.994   -159.453     83.7484   20.5468      
1 1 1 -20 2  20 o 19 3.96958      0.604042    776.009   91.473       153.314   91.473       277.696   -88.527      
1 1 1 -20 2  21 f 0  5.03736      0.441612    114.226   -159.848     296.045   -159.848     95.884    -159.848     
1 1 1 -20 2  22 o 2  3.68635      0.584569    178.427   35.9347      422.436   35.9347      134.355   35.9347      
1 1 1 -20 2  23 o 16 5.65814      0.508794    305.386   -124.054     ?         ?            ?         ?            
1 1 1 -20 2  24 o 1  2.3368       0.386161    426.413   158.06       ?         ?            ?         ?            
1 1 1 -20 4  1  f 0  10.2781      0.601821    771.672   -85.8398     223.854   94.1602      444.851   94.1602      
1 1 1 -20 4  2  o 8  148.098      4.53277     2937.9    18.3146      3923.38   18.3146      695.246   18.3146      
1 1 1 -20 4  3  f 0  103.007      2.66981     3411.32   150.609      2447.78   150.609      242.825   -29.3911     
1 1 1 -20 4  4  o 2  62.065       2.79894     1866.68   177.747      2435.93   177.747      418.289   177.747      
1 1 1 -20 4  5  o 4  12.8272      1.21141     1242.54   -157.734     432.03    22.2662      746.224   22.2662      
1 1 1 -20 4  6  o 15 53.4536      2.49959     2373.32   -0.141944    1808.16   -0.141944    104.531   179.858      
1 1 1 -20 4  7  o 19 57.1147      3.13616     2503.32   -136.374     1933.28   -136.374     91.7094   43.6261      
1 1 1 -20 4  8  o 8  24.5648      1.33878     1272.56   -144.113     1370.45   -144.113     151.629   -144.113     
1 1 1 -20 4  9  o 11 13.3086      0.723809    539.858   54.6206      817.658   54.6206      185.339   54.6206      
1 1 1 -20 4  10 o 7  21.5331      0.906113    1098.47   179.507      1328.01   179.507      216.52    179.507      
1 1 1 -20 4  11 o 11 32.343       1.15333     587.902   -123.585     1733.87   -123.585     630.677   -123.585     
1 1 1 -20 4  12 o 2  10.9808      0.642218    887.479   101.059      420.407   101.059      145.798   -78.9412     
1 1 1 -20 4  13 f 0  23.8798      0.976149    1114.36   -104.355     1511.52   -104.355     300.814   -104.355     
1 1 1 -20 4  14 o 10 6.51037      0.583282    668.439   -69.7706     ?         ?            ?         ?            
1 1 1 -20 4  15 o 1  20.0722      1.03446     1018.35   65.8271      1075.89   65.8271      89.3361   65.8271      
1 1 1 -20 4  16 o 7  59.1965      2.43244     1386.02   -69.2652     2770.31   -69.2652     758.492   -69.2652     
1 1 1 -20 4  17 o 17 37.623       1.57261     1496.02   134.135      1843.53   134.135      243.018   134.135      
1 1 1 -20 4  18 o 7  8.83419      0.754879    1363.16   -19.1089     216.384   -19.1089     506.841   160.891      
1 1 1 -20 4  19 o 6  5.60985      0.431669    658.39    164.548      338.099   164.548      129.931   -15.4516     
1 1 1 -20 4  20 o 18 29.7967      1.4137      1037.53   138.714      1870.88   138.714      459.369   138.714      
1 1 1 -20 4  21 o 14 5.87681      0.45899     551.183   -52.6449     704.71    -52.6449     107.084   -52.6449     
1 1 1 -20 4  22 o 10 7.60243      0.71401     298.244   -91.8177     1048.29   -91.8177     401.393   -91.8177     
1 1 1 -20 4  23 o 17 1.87649      0.34999     392.992   164.5        ?         ?            ?         ?            
1 1 1 -20 4  24 o 10 0.557573     0.312309    349.447   112.955      ?         ?            ?         ?            
1 1 1 -20 6  1  o 6  13.9984      0.899431    1719.2    -141.742     322.684   -141.742     564.178   38.258       
1 1 1 -20 6  2  o 7  15.69        0.76688     115.492   -136.24      255.626   -136.24      79.0985   -136.24      
1 1 1 -20 6  3  o 4  3.95478      0.377855    762.163   128.865      ?         ?            ?         ?            
1 1 1 -20 6  4  o 6  26.2059      1.26571     1065.96   -12.5817     1604.33   -12.5817     354.837   -12.5817     
1 1 1 -20 6  5  o 13 18.3654      0.802932    833.034   -106.573     1208.35   -106.573     256.479   -106.573     
1 1 1 -20 6  6  o 19 28.5732      1.67481     994.057   -154.704     1854      -154.704     515.384   -154.704     
1 1 1 -20 6  7  o 5  32.3408      1.33713     520.762   167.496      2132.52   167.496      852.867   167.496      
1 1 1 -20 6  8  o 3  22.2052      0.956592    887.981   -7.22784     1384.1    -7.22784     332.354   -7.22784     
1 1 1 -20 6  9  o 4  16.6471      0.880777    713.194   -41.6751     1220.88   -41.6751     324.146   -41.6751     
1 1 1 -20 6  10 o 1  60.5462      2.383       1995.12   -164.312     2560.23   -164.312     480.135   -164.312     
1 1 1 -20 6  11 f 0  42.9511      1.83088     1757.71   147.88       2022.94   147.88       298.085   147.88       
1 1 1 -20 6  12 o 13 17.8058      1.1356      798.08    53.0104      1125.01   53.0104      229.764   53.0104      
1 1 1 -20 6  13 o 8  10.2543      0.650482    1314.42   145.311      23.9847   145.311      556.06    -34.6885     
1 1 1 -20 6  14 o 5  40.2164      1.77482     1978.85   -93.4694     1589.08   -93.4694     88.7177   86.5306      
1 1 1 -20 6  15 f 0  5.24423      0.414541    191.43    -138.18      31.1434   -138.18      71.2666   41.8196      
1 1 1 -20 6  16 o 9  8.63862      0.552031    901.079   112.288      480.119   112.288      168.206   -67.7116     
1 1 1 -20 6  17 o 2  4.4726       0.414134    913.546   -33.9678     31.9064   -33.9678     396.176   146.032      
1 1 1 -20 6  18 o 10 19.4613      1.34917     599.34    -78.1509     1666.52   -78.1509     560.726   -78.1509     
1 1 1 -20 6  19 o 9  5.69483      0.467154    247.431   94.2535      500.245   94.2535      136.6     94.2535      
1 1 1 -20 6  20 o 9  1.32474      0.302667    337.869   125.832      37.7776   125.832      131.596   -54.168      
1 1 1 -20 6  21 o 11 4.27552      0.497339    405.518   -173.293     634.11    -173.293     149.348   -173.293     
1 1 1 -20 6  22 o 6  2.57386      0.45411     514.457   -115.111     ?         ?            ?         ?            
1 1 1 -20 6  23 o 13 2.40189      0.409223    303.669   71.1126      ?         ?            ?         ?            
1 1 1 -20 8  1  o 17 18.9304      1.03274     1352.46   -110.308     1015.2    -110.308     37.9519   69.6916      
1 1 1 -20 8  2  o 19 41.478       1.68542     1190.36   -98.4561     2305.56   -98.4561     672.88    -98.4561     
1 1 1 -20 8  3  o 5  9.13847      0.474796    743.704   57.3723      560.239   57.3723      19.1962   -122.628     
1 1 1 -20 8  4  o 17 17.5925      0.957416    1087.77   -39.2472     1106.71   -39.2472     116.592   -39.2472     
1 1 1 -20 8  5  o 19 22.0466      1.20127     555.558   84.0863      1495.54   84.0863      525.133   84.0863      
1 1 1 -20 8  6  o 7  5.59125      0.41331     789.077   -98.6839     209.645   81.3161      421.086   81.3161      
1 1 1 -20 8  7  o 6  4.73472      0.398158    615.854   -134.705     98.9266   45.2953      297.414   45.2953      
1 1 1 -20 8  8  o 18 0.989223     0.268679    262.05    13.2609      ?         ?            ?         ?            
1 1 1 -20 8  9  o 14 10.3914      0.868728    709.416   0.466928     337.616   0.466928     125.666   -179.533     
1 1 1 -20 8  10 o 1  5.26076      0.389702    544.224   100.477      108.598   100.477      177.612   -79.5229     
1 1 1 -20 8  11 f 0  17.7705      0.760375    905.506   -47.5755     1028.74   -47.5755     117.352   -47.5755     
1 1 1 -20 8  12 o 17 31.9584      1.36415     777.206   -50.0708     1980.55   -50.0708     641.508   -50.0708     
1 1 1 -20 8  13 o 8  10.4955      0.748774    343.918   50.3961      599.127   50.3961      143.492   50.3961      
1 1 1 -20 8  14 o 9  4.05797      0.538322    241.884   -150.569     30.4428   29.4311      124.862   29.4311      
1 1 1 -20 8  15 o 8  1.48384      0.381395    801.284   84.3234      643.5     -95.6766     683.289   -95.6766     
1 1 1 -20 8  16 o 19 4.78038      0.63444     706.554   -59.0582     317.284   -59.0582     161.433   120.942      
1 1 1 -20 8  17 o 2  2.52201      0.358526    221.965   -113.895     70.2785   -113.895     66.5603   66.1054      
1 1 1 -20 8  18 o 15 1.88693      0.366344    363.141   1.48813      32.1312   1.48813      149.183   -178.512     
1 1 1 -20 8  19 o 15 0.529094     0.269657    425.367   163.558      191.704   -16.4418     279.731   -16.4418     
1 1 1 -20 8  20 o 9  2.21232      0.451826    213.824   -20.7726     ?         ?            ?         ?            
1 1 1 -20 8  21 o 15 0.649717     0.339901    189.014   55.3924      ?         ?            ?         ?            
1 1 1 -20 8  22 o 13 1.80908      0.479212    253.211   -97.3912     ?         ?            ?         ?            
1 1 1 -20 10 1  o 16 27.6919      1.10475     1807.35   -21.7077     1223.65   -21.7077     145.436   158.292      
1 1 1 -20 10 2  o 11 28.733       1.21005     1258.54   -140.869     1637.85   -140.869     290.926   -140.869     
1 1 1 -20 10 3  o 2  1.47533      0.275607    604.362   52.5511      340.086   -127.449     424.727   -127.449     
1 1 1 -20 10 4  o 11 13.8792      0.818803    1311.65   37.3284      632.735   37.3284      240.646   -142.672     
1 1 1 -20 10 5  o 3  5.67946      0.463412    676.24    -171.143     129.764   -171.143     225.432   8.85677      
1 1 1 -20 10 6  o 12 13.1349      0.863345    414.687   -163.643     701.201   -163.643     170.153   -163.643     
1 1 1 -20 10 7  o 12 1.29381      0.350781    866.58    -111.517     729.192   68.483       747.304   68.483       
1 1 1 -20 10 8  o 14 2.40971      0.324578    275.089   5.46212      176.555   -174.538     211.458   -174.538     
1 1 1 -20 10 9  o 3  13.8866      0.756894    1707.06   63.7378      222.713   63.7378      660.756   -116.262     
1 1 1 -20 10 10 o 4  4.86677      0.718085    799.667   -50.354      4.60708   129.646      365.444   129.646      
1 1 1 -20 10 11 o 12 2.71869      0.397208    497.799   68.5328      106.654   -111.467     278.952   -111.467     
1 1 1 -20 10 12 o 5  23.819       1.03695     1641.14   -80.3627     1121.41   -80.3627     180.195   99.6373      
1 1 1 -20 10 13 o 13 4.51185      0.70363     698.267   179.261      222.044   179.261      204.337   -0.739187    
1 1 1 -20 10 14 o 7  3.78657      0.718764    429.699   39.5398      305.427   39.5398      42.9224   -140.46      
1 1 1 -20 10 15 o 15 1.87008      0.360731    697.472   123.213      102.878   -56.787      371.476   -56.787      
1 1 1 -20 10 16 o 1  2.12295      0.448108    412.836   -117.403     36.2929   62.5966      205.116   62.5966      
1 1 1 -20 10 17 o 1  6.03283      0.580474    444.716   -164.303     784.634   -164.303     200.524   -164.303     
1 1 1 -20 10 18 o 16 0.738958     0.319931    389.946   -144.229     55.7046   35.7707      185.84    35.7707      
1 1 1 -20 10 19 o 19 1.07028      0.341742    383.015   110.94       ?         ?            ?         ?            
1 1 1 -20 10 20 f 0  0.389878     0.322763    149.972   -46.0776     ?         ?            ?         ?            
1 1 1 -20 12 1  o 14 -0.237088    0.217663    454.326   163.508      ?         ?            ?         ?            
1 1 1 -20 12 2  o 2  6.45754      0.547702    844.288   101.323      298.676   101.323      234.044   -78.6775     
1 1 1 -20 12 3  o 12 8.5939       0.537117    1105.01   5.9449       59.5273   5.9449       471.898   -174.055     
1 1 1 -20 12 4  o 4  5.03138      0.490341    1055.7    82.9147      17.489    -97.0853     487.723   -97.0853     
1 1 1 -20 12 5  o 11 1.27173      0.371164    928.483   -9.25915     535.171   170.741      688.32    170.741      
1 1 1 -20 12 6  o 16 9.70927      0.662235    205.481   -94.323      475.694   -94.323      144.906   -94.323      
1 1 1 -20 12 7  o 15 0.969036     0.323274    426.335   -70.5767     247.761   109.423      316.352   109.423      
1 1 1 -20 12 8  o 17 0.760206     0.273155    503.164   52.3639      395.724   -127.636     424.861   -127.636     
1 1 1 -20 12 9  o 2  2.63736      0.380268    515.404   -28.184      3.82695   -28.184      231.102   151.816      
1 1 1 -20 12 10 o 15 9.70613      0.659146    510.09    50.3057      906.106   50.3057      221.116   50.3057      
1 1 1 -20 12 11 o 12 1.15202      0.36798     246.219   -130.601     163.066   49.3985      194.283   49.3985      
1 1 1 -20 12 12 o 2  2.17471      0.426446    180.198   162.919      72.7095   162.919      46.2518   -17.0806     
1 1 1 -20 12 13 o 16 6.19378      0.557011    584.793   83.8346      695.785   83.8346      84.1096   83.8346      
1 1 1 -20 12 14 o 17 1.3237       0.551185    86.3681   -145.959     26.319    -145.959     24.262    34.0415      
1 1 1 -20 12 15 o 10 0.342929     0.343478    372.341   10.3162      209.425   -169.684     257.692   -169.684     
1 1 1 -20 12 16 o 6  4.71725      0.558806    575.176   -72.4102     ?         ?            ?         ?            
1 1 1 -20 12 17 o 1  2.06379      0.522851    251.743   160.361      ?         ?            ?         ?            
1 1 1 -20 12 18 o 3  0.855389     0.456769    169.511   -153.75      ?         ?            ?         ?            
1 1 1 -20 14 1  o 9  1.53312      0.467361    331.072   110.967      47.6292   -69.0332     175.469   -69.0332     
1 1 1 -20 14 2  o 10 3.32234      0.561393    419.592   101.072      263.857   101.072      60.3162   -78.9283     
1 1 1 -20 14 3  o 3  5.29686      0.564104    409.107   3.18859      519.384   3.18859      72.1283   3.18859      
1 1 1 -20 14 4  o 2  10.032       0.636494    860.255   -45.3773     826.578   -45.3773     18.6023   -45.3773     
1 1 1 -20 14 5  o 8  3.9147       0.491774    216.195   -151.87      331.123   -151.87      66.3745   -151.87      
1 1 1 -20 14 6  o 2  3.49694      0.438336    622.462   153.724      263.461   153.724      153.19    -26.2764     
1 1 1 -20 14 7  o 2  1.12147      0.337352    247.498   -125.085     49.4883   54.9148      137.249   54.9148      
1 1 1 -20 14 8  o 15 1.45619      0.33643     184.754   62.0587      7.20832   62.0587      79.1688   -117.941     
1 1 1 -20 14 9  o 12 0.896448     0.408148    214.453   21.6099      14.7103   -158.39      101.116   -158.39      
1 1 1 -20 14 10 o 17 0.551361     0.405141    195.391   -122.5       78.1932   57.4998      121.711   57.4998      
1 1 1 -20 14 11 f 0  1.33056      0.386593    275.312   -119.953     49.1199   -119.953     87.7466   60.0468      
1 1 1 -20 14 12 o 1  0.395091     0.319859    291.392   -78.2403     115.841   101.76       173.593   101.76       
1 1 1 -20 14 13 o 9  0.721082     0.33571     180.158   169.766      ?         ?            ?         ?            
1 1 1 -20 14 14 o 16 0.550001     0.363077    161.487   85.7971      ?         ?            ?         ?            
1 1 1 -20 16 1  o 8  1.26297      0.41274     151.257   63.8689      109.42    63.8689      5.60219   -116.131     
1 1 1 -20 16 2  o 1  1.36306      0.489738    207.44    170.165      146.824   170.165      9.22871   -9.83527     
1 1 1 -20 16 3  o 8  2.03203      0.388958    154.061   -155.367     266.912   -155.367     72.2558   -155.367     
1 1 1 -20 16 4  o 19 0.992083     0.376359    320.781   51.5408      43.3459   51.5408      105.214   -128.459     
1 1 1 -20 16 5  o 10 1.14949      0.364349    162.851   -72.8461     96.8008   -72.8461     15.6927   107.154      
1 1 1 -20 16 6  o 14 0.527757     0.342081    274.454   -70.0396     37.1647   109.96       125.975   109.96       
1 1 1 -20 16 7  o 15 -0.14713     0.30317     337.657   -110.514     238.991   69.4863      250.513   69.4863      
1 1 1 -20 16 8  o 2  1.83337      0.421575    547.215   91.3532      ?         ?            ?         ?            
1 1 1 -20 16 9  f 0  0.305699     0.327144    205.205   162.883      ?         ?            ?         ?            
1 1 1 -19 1  1  f 0  10.7653      0.88502     1438.49   23.931       1123.47   -156.069     1225.46   -156.069     
1 1 1 -19 1  2  o 19 175.994      5.36721     3493.46   131.02       3780.12   131.02       282.672   131.02       
1 1 1 -19 1  3  o 4  204.617      5.0883      4021.05   -45.8436     4046.64   -45.8436     188.965   -45.8436     
1 1 1 -19 1  4  o 18 11.5591      0.626281    1148.49   56.9317      226.663   -123.068     630.194   -123.068     
1 1 1 -19 1  5  o 1  40.7187      1.30723     1477.89   -9.77403     446.793   -9.77403     430.819   170.226      
1 1 1 -19 1  6  o 7  41.8078      1.78157     1562.17   -18.9108     1596.39   -18.9108     117.758   -18.9108     
1 1 1 -19 1  7  o 13 28.0245      1.18567     1687.64   154.983      674.569   154.983      388.559   -25.0171     
1 1 1 -19 1  8  f 0  60.9081      2.06103     2918.08   -42.308      1622.3    -42.308      433.479   137.692      
1 1 1 -19 1  9  o 13 5.01095      0.415525    383.631   5.07433      72.659    -174.926     198.839   -174.926     
1 1 1 -19 1  10 o 5  117.098      3.5189      2847.42   -170.883     3502.86   -170.883     557.731   -170.883     
1 1 1 -19 1  11 f 0  10.9341      0.619663    768.738   151.362      603.903   151.362      14.9531   -28.6384     
1 1 1 -19 1  12 o 14 4.31666      0.40401     734.435   88.495       ?         ?            ?         ?            
1 1 1 -19 1  13 o 16 6.05278      0.553032    317.874   169.336      ?         ?            ?         ?            
1 1 1 -19 1  14 o 18 29.8791      1.32439     1793.49   -123.055     1309.93   -123.055     72.4326   56.9446      
1 1 1 -19 1  15 o 9  17.3082      0.847053    1173.49   -149.25      658.627   -149.25      164.044   30.7505      
1 1 1 -19 1  16 o 13 34.6088      1.10818     1225.76   -34.648      1786.95   -34.648      354.854   -34.648      
1 1 1 -19 1  17 o 2  0.673532     0.262316    591.092   70.9051      ?         ?            ?         ?            
1 1 1 -19 1  18 o 14 48.0374      1.74581     1512.28   -31.5367     2239.39   -31.5367     433.836   -31.5367     
1 1 1 -19 1  19 o 1  1.80564      0.395487    756.445   168.464      513.323   -11.5356     597.914   -11.5356     
1 1 1 -19 1  20 o 4  4.02331      0.373522    290.1     9.09762      200.542   9.09762      31.8095   -170.902     
1 1 1 -19 1  21 o 12 7.7206       0.57656     332.815   -16.6617     852.995   -16.6617     274.044   -16.6617     
1 1 1 -19 1  22 o 19 0.909679     0.36803     225.24    -80.0628     42.4271   99.9372      119.6     99.9372      
1 1 1 -19 1  23 o 3  4.16108      0.561865    174.632   78.754       ?         ?            ?         ?            
1 1 1 -19 1  24 o 5  7.47338      0.564857    369.421   -11.7616     ?         ?            ?         ?            
1 1 1 -19 3  1  o 7  205.88       6.04479     3175.04   150.104      4505.01   150.104      845.589   150.104      
1 1 1 -19 3  2  o 18 28.3914      1.08395     1745.34   -164.975     705.859   -164.975     418.905   15.025       
1 1 1 -19 3  3  o 15 43.837       1.68079     1957.65   4.31333      862.298   4.31333      429.521   -175.687     
1 1 1 -19 3  4  o 14 64.2841      2.49973     1405.04   -41.4561     2442.79   -41.4561     608.858   -41.4561     
1 1 1 -19 3  5  o 7  5.03729      0.649586    218.181   60.231       177.818   -119.769     183.169   -119.769     
1 1 1 -19 3  6  o 16 46.3677      2.14354     1507.4    118.736      982.292   118.736      154.993   -61.2643     
1 1 1 -19 3  7  o 18 28.591       1.3244      1914.85   135.741      886.539   135.741      372.545   -44.2592     
1 1 1 -19 3  8  o 2  69.1808      2.48179     2260.34   55.4173      2463.87   55.4173      274.602   55.4173      
1 1 1 -19 3  9  o 3  1.99838      0.235731    831.118   49.3879      518.751   -130.612     608.224   -130.612     
1 1 1 -19 3  10 o 12 14.6437      0.755161    1060.05   -144.178     923.139   -144.178     23.04     -144.178     
1 1 1 -19 3  11 o 4  5.28577      0.336787    383.497   -83.5725     45.6573   -83.5725     133.001   96.4275      
1 1 1 -19 3  12 o 8  18.6202      0.861895    405.555   115.11       972.727   115.11       323.697   115.11       
1 1 1 -19 3  13 o 15 15.1957      0.760947    750.177   92.5814      956.741   92.5815      176.445   92.5815      
1 1 1 -19 3  14 o 6  4.62351      0.413381    581.295   135.099      381.548   -44.9012     430.927   -44.9012     
1 1 1 -19 3  15 o 10 3.39141      0.494114    567.224   50.5143      173.857   -129.486     331.258   -129.486     
1 1 1 -19 3  16 o 11 17.6404      1.08599     194.799   -67.9638     540.686   -67.9638     183.229   -67.9638     
1 1 1 -19 3  17 o 13 25.8094      1.12403     912.899   -26.9809     1674.16   -26.9809     422.575   -26.9809     
1 1 1 -19 3  18 o 10 9.51925      0.683587    354.699   22.3417      659.031   22.3417      169.146   22.3417      
1 1 1 -19 3  19 o 18 3.78046      0.400289    674.764   -13.8125     124.813   166.187      367.354   166.187      
1 1 1 -19 3  20 o 6  4.54456      0.374622    196.533   9.70498      306.161   9.70498      63.0912   9.70498      
1 1 1 -19 3  21 o 13 5.53621      0.818982    268.586   43.0465      637.08    43.0465      196.731   43.0465      
1 1 1 -19 3  22 f 0  2.01381      0.348675    220.511   16.5565      243.924   16.5565      28.5289   16.5565      
1 1 1 -19 3  23 o 11 0.527721     0.350996    206.252   140.167      ?         ?            ?         ?            
1 1 1 -19 3  24 o 7  3.37485      0.514002    219.812   -135.696     ?         ?            ?         ?            
1 1 1 -19 5  1  o 12 33.3579      1.49198     1646.02   -27.4789     1276.55   -27.4789     64.7611   152.521      
1 1 1 -19 5  2  o 4  38.4528      1.66101     1754.37   -142.638     1321.69   -142.638     88.0964   37.362       
1 1 1 -19 5  3  o 6  7.88844      0.591275    287.231   -77.4978     75.0798   -77.4978     84.9009   102.502      
1 1 1 -19 5  4  o 19 9.06612      0.834969    1256.02   120.816      924.292   -59.1841     996.357   -59.1841     
1 1 1 -19 5  5  o 6  23.1182      1.12017     862.471   -124.113     1149      -124.113     208.819   -124.113     
1 1 1 -19 5  6  o 15 9.89203      0.714968    1106.28   157.599      392.778   157.598      270.47    -22.4015     
1 1 1 -19 5  7  o 4  27.0198      1.15836     1166.03   -132.6       1633.71   -132.6       328.431   -132.6       
1 1 1 -19 5  8  o 8  13.7863      0.605348    264.65    -106.632     589.079   -106.632     184.924   -106.632     
1 1 1 -19 5  9  o 13 0.95956      0.279066    627.777   129.963      ?         ?            ?         ?            
1 1 1 -19 5  10 o 2  54.19        2.13719     1472.4    116.803      2331.18   116.803      572.497   116.803      
1 1 1 -19 5  11 o 11 22.577       0.997655    1478.12   68.4076      1113.29   68.4076      35.55     -111.592     
1 1 1 -19 5  12 o 5  5.60531      0.459397    968.67    -116.606     563.506   63.3941      673.891   63.3941      
1 1 1 -19 5  13 o 17 22.3415      1.15428     1270.01   129.651      1240.5    129.651      91.2189   129.651      
1 1 1 -19 5  14 o 1  11.7689      0.700659    987.002   69.5042      531.11    69.5042      161.988   -110.496     
1 1 1 -19 5  15 o 3  41.9293      1.83686     1707.97   -142.072     1883.91   -142.072     176.988   -142.072     
1 1 1 -19 5  16 o 19 4.87051      0.430476    639.627   126.772      446.04    -53.2283     513.436   -53.2283     
1 1 1 -19 5  17 o 1  11.0547      0.677835    391.227   -38.2467     787.094   -38.2467     216.579   -38.2467     
1 1 1 -19 5  18 o 4  3.83354      0.405474    621.903   24.6319      104.284   24.6319      228.674   -155.368     
1 1 1 -19 5  19 o 3  1.76287      0.453114    581.915   49.5027      58.1469   -130.497     294.956   -130.497     
1 1 1 -19 5  20 o 13 0.559421     0.301036    548.843   -130.436     315.76    49.5644      408.447   49.5644      
1 1 1 -19 5  21 o 4  3.98459      0.365342    371.647   63.1571      552.437   63.1571      115.423   63.1571      
1 1 1 -19 5  22 o 14 0.740476     0.286398    242.307   148.384      ?         ?            ?         ?            
1 1 1 -19 5  23 o 13 5.95939      0.630727    650.817   -170.97      ?         ?            ?         ?            
1 1 1 -19 7  1  o 13 18.6893      1.04298     862.411   17.5051      1232.76   17.5051      258.275   17.5051      
1 1 1 -19 7  2  f 0  21.9299      1.00413     952.763   146.019      1484.25   146.019      346.849   146.019      
1 1 1 -19 7  3  o 11 6.35684      0.477868    950.511   48.6658      ?         ?            ?         ?            
1 1 1 -19 7  4  o 9  18.2513      1.04003     492.014   -11.9118     1303.91   -11.9118     449.365   -11.9118     
1 1 1 -19 7  5  o 17 9.95636      0.618779    1160.98   37.0897      471.744   37.0897      238.978   -142.91      
1 1 1 -19 7  6  o 2  2.79492      0.344468    560.065   -88.6398     167.367   91.3602      310.913   91.3602      
1 1 1 -19 7  7  o 3  4.86409      0.390701    738.112   121.06       186.554   121.06       203.852   -58.9403     
1 1 1 -19 7  8  o 15 12.1381      0.810347    1460.47   -147.009     270.914   -147.009     449.743   32.9906      
1 1 1 -19 7  9  o 10 1.28819      0.232938    560.208   -64.7573     ?         ?            ?         ?            
1 1 1 -19 7  10 o 17 4.67919      0.356359    745.488   46.342       65.9899   46.342       270.628   -133.658     
1 1 1 -19 7  11 o 15 10.4839      0.864031    187.705   -40.6106     218.218   -40.6106     30.6795   -40.6106     
1 1 1 -19 7  12 o 19 1.4919       0.366718    965.746   -6.86525     ?         ?            ?         ?            
1 1 1 -19 7  13 o 11 62.4911      2.51507     2499.53   -89.9665     1876.73   -89.9665     174.593   90.0335      
1 1 1 -19 7  14 o 9  1.2078       0.305595    620.646   119.436      553.46    -60.5642     557.937   -60.5642     
1 1 1 -19 7  15 o 15 2.54145      0.361579    629.873   -42.1917     362.584   137.808      467.008   137.808      
1 1 1 -19 7  16 o 16 13.7951      0.828751    1133.88   -125.865     801.109   -125.865     111.129   54.1354      
1 1 1 -19 7  17 o 12 6.22861      0.587249    608.873   -31.7003     555.519   -31.7003     1.91606   -31.7003     
1 1 1 -19 7  18 o 7  4.89308      0.472343    731.531   -116.099     316.388   -116.099     177.16    63.9005      
1 1 1 -19 7  19 o 14 22.3318      1.16779     634.951   123.805      1894.08   123.805      659.254   123.805      
1 1 1 -19 7  20 o 5  4.31969      0.440759    363.652   106.371      634.792   106.371      162.245   106.371      
1 1 1 -19 7  21 o 11 2.2371       0.373671    137.767   20.2178      ?         ?            ?         ?            
1 1 1 -19 7  22 o 11 4.50835      0.460267    569.809   -22.6825     ?         ?            ?         ?            
1 1 1 -19 9  1  o 14 7.00197      0.562729    861.49    -164.872     298.398   -164.872     196.555   15.1278      
1 1 1 -19 9  2  o 5  13.6946      0.966209    1047.83   147.455      904.015   147.455      31.3041   147.455      
1 1 1 -19 9  3  o 8  5.73252      0.450053    964.302   40.8411      69.1871   40.8411      353.124   -139.159     
1 1 1 -19 9  4  o 6  20.8808      0.895161    858.869   -51.6324     1459.29   -51.6324     383.223   -51.6324     
1 1 1 -19 9  5  o 15 15.9461      1.0076      1105.02   -103.838     966.203   -103.838     34.7033   -103.838     
1 1 1 -19 9  6  o 13 9.09421      0.606968    310.08    -0.933565    335.278   -0.933565    40.5317   -0.933565    
1 1 1 -19 9  7  o 7  3.00837      0.412625    1054.71   90.0583      445.965   -89.9417     661.965   -89.9417     
1 1 1 -19 9  8  o 11 8.32048      0.637047    809.301   -137.097     410.637   -137.097     138.407   42.9032      
1 1 1 -19 9  9  o 16 0.627207     0.221772    236.394   -157.716     197.134   22.2839      201.334   22.2839      
1 1 1 -19 9  10 f 0  26.012       1.11767     1539.99   54.0977      1226.66   54.0977      71.1647   -125.902     
1 1 1 -19 9  11 o 4  1.58852      0.290566    653.474   16.7408      479.237   -163.259     534.7     -163.259     
1 1 1 -19 9  12 o 14 12.186       0.836994    847.394   -146.137     681.876   -146.137     43.8863   33.8631      
1 1 1 -19 9  13 o 8  0.734917     0.238907    420.074   -91.503      365.163   88.497       372.785   88.497       
1 1 1 -19 9  14 o 4  12.2188      0.72426     502.286   34.4308      1056.01   34.4308      301.409   34.4308      
1 1 1 -19 9  15 o 9  15.7906      1.31327     1133.16   -90.1102     1029.67   -90.1102     1.23877   -90.1102     
1 1 1 -19 9  16 o 12 8.88098      0.641123    521.452   87.7863      902.583   87.7863      212.397   87.7863      
1 1 1 -19 9  17 o 17 11.6195      0.745137    777.317   45.7501      1064.29   45.7501      177.811   45.7501      
1 1 1 -19 9  18 o 14 3.93058      0.484339    230.078   143.872      515.28    143.872      157.375   143.872      
1 1 1 -19 9  19 o 7  2.04804      0.359759    507.864   -109.846     160.722   -109.846     126.465   70.1544      
1 1 1 -19 9  20 o 1  0.277269     0.283796    234.546   84.4307      ?         ?            ?         ?            
1 1 1 -19 9  21 o 7  0.760947     0.434925    233.568   -11.6896     ?         ?            ?         ?            
1 1 1 -19 11 1  o 3  10.3237      0.528451    1017.4    -166.509     401.68    -166.509     249.291   13.491       
1 1 1 -19 11 2  o 1  9.49667      0.590062    875.028   64.6316      375.194   64.6316      199.981   -115.368     
1 1 1 -19 11 3  o 14 25.2621      1.03776     1370.4    -32.4116     1226.65   -32.4116     4.27175   -32.4116     
1 1 1 -19 11 4  o 12 4.34823      0.401501    406.793   121.183      43.7516   -58.8169     203.601   -58.8169     
1 1 1 -19 11 5  o 12 12.6804      0.696506    1105.87   129.877      667.111   129.877      163.458   -50.1226     
1 1 1 -19 11 6  f 0  3.84665      0.464061    626.596   -63.4906     54.5941   116.509      310.508   116.509      
1 1 1 -19 11 7  f 0  3.35295      0.422244    544.681   64.3048      153.767   -115.695     324.013   -115.695     
1 1 1 -19 11 8  f 0  1.63001      0.366401    473.428   113.703      386.511   -66.2968     408.233   -66.2968     
1 1 1 -19 11 9  o 16 6.57472      0.477887    957.995   -156.151     121.242   -156.151     373.44    23.8486      
1 1 1 -19 11 10 o 1  1.79505      0.361354    524.706   10.929       294.753   -169.071     384.332   -169.071     
1 1 1 -19 11 11 o 13 5.35156      0.554954    542.804   -86.9373     384.339   -86.9373     52.7723   93.0627      
1 1 1 -19 11 12 o 1  2.93585      0.782755    257.288   64.0062      29.0029   64.0062      102.182   -115.994     
1 1 1 -19 11 13 o 12 1.65854      0.467894    516.225   -83.8737     160.558   96.1263      316.474   96.1263      
1 1 1 -19 11 14 o 19 0.492462     0.334048    372.654   -169.663     ?         ?            ?         ?            
1 1 1 -19 11 15 o 12 6.8509       0.653833    501.822   -161.31      810.602   -161.31      180.55    -161.31      
1 1 1 -19 11 16 o 6  7.25769      0.678947    665.635   75.9748      821.33    75.9748      127.792   75.9748      
1 1 1 -19 11 17 o 1  1.15741      0.299973    599.137   -44.763      1.06372   -44.763      240.338   135.237      
1 1 1 -19 11 18 o 1  1.55745      0.448577    208.467   88.5972      ?         ?            ?         ?            
1 1 1 -19 11 19 f 0  1.38916      0.377762    344.211   -101.619     ?         ?            ?         ?            
1 1 1 -19 13 1  o 17 0.7402       0.338318    517.064   34.3734      362.829   -145.627     414.679   -145.627     
1 1 1 -19 13 2  o 7  1.45542      0.556237    240.045   159.443      179.915   -20.5575     198.248   -20.5575     
1 1 1 -19 13 3  o 16 7.61027      0.520965    742.203   177.47       581.038   177.47       44.3226   -2.52956     
1 1 1 -19 13 4  o 4  2.01166      0.370976    380.984   -75.2037     71.4762   104.796      207.679   104.796      
1 1 1 -19 13 5  o 17 8.7849       0.727663    437.323   -96.2582     828.262   -96.2582     216.543   -96.2582     
1 1 1 -19 13 6  o 16 3.02612      0.376098    906.004   -53.8826     260.421   126.117      540.549   126.117      
1 1 1 -19 13 7  o 2  2.80413      0.459703    83.4115   120.481      12.6727   120.481      31.595    -59.5191     
1 1 1 -19 13 8  o 13 0.194744     0.317676    229.319   93.5237      208.335   -86.4763     208.985   -86.4763     
1 1 1 -19 13 9  f 0  4.18697      0.430549    429.132   81.5443      441.211   81.5443      23.7242   81.5443      
1 1 1 -19 13 10 o 17 5.49227      0.597098    743.646   48.0931      459.362   48.0931      110.56    -131.907     
1 1 1 -19 13 11 o 19 2.57621      0.461682    485.648   23.6994      221.434   23.6994      107.935   -156.301     
1 1 1 -19 13 12 o 14 1.82821      0.396102    30.8816   -165.899     26.7482   -165.899     0.0671468 14.1014      
1 1 1 -19 13 13 o 3  2.93935      0.47225     348.881   -139.973     400.914   -139.973     55.4275   -139.973     
1 1 1 -19 13 14 o 18 1.22984      0.427844    244.115   160.868      134.487   160.868      30.2919   -19.1317     
1 1 1 -19 13 15 o 13 1.35973      0.428017    46.3093   77.4757      ?         ?            ?         ?            
1 1 1 -19 13 16 o 17 0.67154      0.762329    155.39    84.59        ?         ?            ?         ?            
1 1 1 -19 15 1  o 12 5.57816      0.578376    783.149   -11.1988     473.337   -11.1988     112.177   168.801      
1 1 1 -19 15 2  f 0  1.08975      0.378649    506.882   18.5353      80.5938   -161.465     265.752   -161.465     
1 1 1 -19 15 3  o 3  2.98941      0.473886    585.004   93.4533      261.071   93.4533      128.429   -86.5467     
1 1 1 -19 15 4  o 3  1.60099      0.42545     83.5533   -73.2795     51.5555   -73.2795     10.8917   106.72       
1 1 1 -19 15 5  o 18 1.27567      0.398562    306.881   -11.4637     71.3281   -11.4637     97.2602   168.536      
1 1 1 -19 15 6  o 7  1.29164      0.369649    438.002   21.9868      59.3145   21.9868      156.679   -158.013     
1 1 1 -19 15 7  f 0  0.0451421    0.305759    460.625   124.692      293.68    -55.3085     338.529   -55.3085     
1 1 1 -19 15 8  o 1  0.910983     0.400767    42.3201   -22.8341     11.1348   -22.8341     11.6382   157.166      
1 1 1 -19 15 9  o 1  1.14333      0.360095    120.84    -24.9757     57.7213   -24.9757     19.293    155.024      
1 1 1 -19 15 10 o 7  0.461989     0.365024    396.68    -69.6839     85.3268   110.316      198.558   110.316      
1 1 1 -19 15 11 o 15 1.9335       0.533706    99.9528   -158.483     ?         ?            ?         ?            
1 1 1 -19 15 12 o 3  -0.433058    0.274965    71.3601   -151.18      ?         ?            ?         ?            
1 1 1 -19 17 1  o 1  0.047079     0.347573    278.681   99.7623      153.651   -80.2377     181.67    -80.2377     
1 1 1 -19 17 2  o 9  0.608982     0.342468    290.052   94.4598      12.0413   -85.5403     115.035   -85.5403     
1 1 1 -19 17 3  o 6  0.901435     0.412837    154.777   79.426       93.4595   79.426       11.3064   -100.574     
1 1 1 -19 17 4  o 17 0.576826     0.410528    306.448   -81.7934     ?         ?            ?         ?            
1 1 1 -19 17 5  f 0  0.516592     0.486128    242.83    94.8212      ?         ?            ?         ?            
1 1 1 -18 0  1  o 9  1.92811      0.543707    1016.87   180          873.93    6.38297e-16  913.68    3.05264e-16  
1 1 1 -18 0  2  o 5  110.803      12.7301     2563.58   0            2985.33   0            294.503   0            
1 1 1 -18 0  3  o 14 1.68935      0.33432     456.088   0            367.07    180          394.785   180          
1 1 1 -18 0  4  o 10 101.359      6.20435     3239.32   180          1233.02   180          861.781   1.70561e-14  
1 1 1 -18 0  5  f 0  20.799       1.66194     603.751   0            ?         ?            ?         ?            
1 1 1 -18 0  6  o 13 24.6543      1.52706     531.779   180          155.802   180          155.601   1.40425e-14  
1 1 1 -18 0  7  o 6  111.453      5.44494     3299.72   0            2417.42   0            217.109   180          
1 1 1 -18 0  8  o 15 3.80675      0.528242    501.407   0            219.038   180          323.908   180          
1 1 1 -18 0  9  o 14 103.983      4.40404     2401.22   180          3632.05   180          796.68    180          
1 1 1 -18 0  10 o 13 9.61314      0.945228    614.759   0            468.246   0            24.4188   180          
1 1 1 -18 0  11 o 19 6.15593      0.504673    1215.67   0            97.4854   0            454.486   180          
1 1 1 -18 0  12 o 11 64.8902      3.66121     2023.68   180          2604.85   180          481.133   180          
1 1 1 -18 0  13 o 6  25.0873      1.50623     691.776   0            1910.38   0            677.954   0            
1 1 1 -18 0  14 o 19 2.65527      0.416063    357.135   0            ?         ?            ?         ?            
1 1 1 -18 0  15 o 19 0.980735     0.402974    292.622   180          ?         ?            ?         ?            
1 1 1 -18 0  16 o 4  29.0941      1.58174     1079.37   180          ?         ?            ?         ?            
1 1 1 -18 0  17 f 0  0.835563     0.298662    1240.76   0            ?         ?            ?         ?            
1 1 1 -18 0  18 o 10 5.65041      0.788446    103.318   180          ?         ?            ?         ?            
1 1 1 -18 0  19 o 9  16.2864      1.20196     654.6     0            1564.52   0            486.932   0            
1 1 1 -18 0  20 o 11 2.14873      0.464205    345.065   180          234.456   2.37418e-15  274.121   1.01532e-15  
1 1 1 -18 0  21 o 3  0.88677      0.423952    265.067   0            122.952   180          183.01    180          
1 1 1 -18 0  22 o 15 6.49222      0.834004    514.821   180          899.954   180          223.805   180          
1 1 1 -18 0  23 o 1  0.14509      0.380077    259.019   180          ?         ?            ?         ?            
1 1 1 -18 0  24 o 5  2.1773       1.42462     216.339   0            ?         ?            ?         ?            
1 1 1 -18 2  1  o 17 141.725      3.98022     3420.37   -24.3602     3115.14   -24.3602     10.1564   155.64       
1 1 1 -18 2  2  o 13 26.2307      1.30111     1550.75   -111.006     576.922   -111.006     420.158   68.994       
1 1 1 -18 2  3  o 10 16.6746      1.23298     900.506   83.9147      565.949   -96.0853     690.936   -96.0853     
1 1 1 -18 2  4  o 4  181.126      5.93082     3048.68   -75.5514     4435.33   -75.5514     854.549   -75.5514     
1 1 1 -18 2  5  o 17 273.375      8.10081     4220.94   165.146      5196.22   165.146      739.811   165.146      
1 1 1 -18 2  6  o 19 145.118      4.93617     2800.93   92.2168      3916.56   92.2168      743.026   92.2168      
1 1 1 -18 2  7  o 2  133.118      4.50824     2773.35   -23.0439     3706.51   -23.0439     663.227   -23.0439     
1 1 1 -18 2  8  o 6  7.45812      0.423125    1320.88   135.891      303.607   -44.1085     714.389   -44.1085     
1 1 1 -18 2  9  o 2  49.1317      2.18341     1279.79   56.4226      2489.74   56.4226      703.596   56.4226      
1 1 1 -18 2  10 o 1  34.7144      1.22282     1945.42   -70.9886     1477.16   -70.9886     74.9255   109.011      
1 1 1 -18 2  11 o 2  11.8082      0.562065    178.775   -153.189     165.443   -153.189     9.26131   -153.189     
1 1 1 -18 2  12 o 18 2.65142      0.292823    319.81    -108.431     18.4898   71.5695      138.279   71.5695      
1 1 1 -18 2  13 o 17 8.24059      0.492058    1185.31   -123.566     303.434   -123.566     323.242   56.4345      
1 1 1 -18 2  14 o 3  68.7851      2.94501     1681.3    108.825      2941.23   108.825      786.133   108.825      
1 1 1 -18 2  15 o 5  7.65488      0.465602    810.663   -37.0089     227.433   -37.0089     229.142   142.991      
1 1 1 -18 2  16 o 16 1.78163      0.354107    150.651   -48.5825     75.1084   131.418      104.085   131.418      
1 1 1 -18 2  17 f 0  23.6233      0.977918    893.797   175.794      1275.22   175.794      232.783   175.794      
1 1 1 -18 2  18 o 5  0.4866       0.223129    655.639   138.111      543.508   -41.8893     568.875   -41.8893     
1 1 1 -18 2  19 o 4  5.79118      0.498624    772.775   21.0976      296.135   21.0976      200.601   -158.902     
1 1 1 -18 2  20 o 9  2.46842      0.466784    537.663   85.5134      62.7228   85.5134      213.86    -94.4866     
1 1 1 -18 2  21 o 14 13.7061      0.864184    1012.95   157.062      997.904   157.062      35.8338   157.062      
1 1 1 -18 2  22 o 17 5.03647      0.579438    543.194   101.902      623.969   101.902      76.7673   101.902      
1 1 1 -18 2  23 o 19 1.08847      0.350913    354.723   -25.223      ?         ?            ?         ?            
1 1 1 -18 2  24 o 17 2.17698      0.363457    534.264   66.8033      ?         ?            ?         ?            
1 1 1 -18 4  1  o 15 1.9924       0.291792    1111.1    -99.84       850.37    80.16        908.802   80.16        
1 1 1 -18 4  2  o 15 58.9893      2.69089     1720.52   -164.529     1676.82   -164.529     90.6533   -164.529     
1 1 1 -18 4  3  o 13 82.4885      3.52506     1848.07   -140.959     2933.07   -140.959     666.501   -140.959     
1 1 1 -18 4  4  o 19 9.48811      0.768173    1333.08   -20.8316     323.51    159.168      735.775   159.168      
1 1 1 -18 4  5  o 15 51.9125      1.66248     1732.63   4.73254      1853.6    4.73254      184.814   4.73254      
1 1 1 -18 4  6  o 7  3.80542      0.33399     980.825   -55.3079     487.811   124.692      661.879   124.692      
1 1 1 -18 4  7  o 6  4.24797      0.524752    1077.63   -40.6107     434.012   139.389      673.945   139.389      
1 1 1 -18 4  8  o 2  37.8288      1.4593      1393.86   -175.082     1819.65   -175.082     323.039   -175.082     
1 1 1 -18 4  9  o 7  11.5152      0.747991    1006.77   119.982      626.05    119.982      105.854   -60.0182     
1 1 1 -18 4  10 o 7  12.0883      0.595679    1022.78   35.5758      479.237   35.5758      179.07    -144.424     
1 1 1 -18 4  11 o 13 30.6461      1.11149     246.157   48.6844      1439.11   48.6844      620.362   48.6844      
1 1 1 -18 4  12 o 17 37.6596      1.36974     869.332   17.8644      2347.69   17.8644      825.504   17.8644      
1 1 1 -18 4  13 o 18 1.21381      0.249949    568.131   22.0415      342.828   -157.959     402.193   -157.959     
1 1 1 -18 4  14 o 9  33.5407      1.43322     1058      139.714      1919.69   139.714      515.273   139.714      
1 1 1 -18 4  15 o 7  45.5254      1.6172      1360.48   101.193      2203.21   101.193      505.594   101.193      
1 1 1 -18 4  16 o 15 12.4502      0.718705    550.838   -130.889     418.765   -130.889     39.1436   49.1109      
1 1 1 -18 4  17 o 5  7.90701      0.568119    229.337   80.4342      183.537   80.4342      12.335    -99.5658     
1 1 1 -18 4  18 o 17 9.45692      0.719812    497.564   154.481      739.041   154.481      144.968   154.481      
1 1 1 -18 4  19 o 5  5.38736      0.436897    365.783   -12.3841     471.215   -12.3841     69.7065   -12.3841     
1 1 1 -18 4  20 o 4  7.19499      0.749158    434.138   -39.7286     691.189   -39.7286     146.385   -39.7286     
1 1 1 -18 4  21 o 3  6.27908      0.544996    568.614   125.7        719.031   125.7        105.402   125.7        
1 1 1 -18 4  22 o 9  1.32033      0.368018    627.874   107.466      19.3383   -72.5342     269.352   -72.5342     
1 1 1 -18 4  23 o 10 0.602842     0.291991    176.519   -33.157      ?         ?            ?         ?            
1 1 1 -18 4  24 o 11 4.52073      0.487861    254.328   -109.87      ?         ?            ?         ?            
1 1 1 -18 6  1  f 0  32.0515      1.4259      1004.49   79.5364      1737.49   79.5364      443.212   79.5364      
1 1 1 -18 6  2  o 1  42.917       2.05244     1287.13   -43.4637     2072.01   -43.4637     491.025   -43.4637     
1 1 1 -18 6  3  o 19 1.79843      0.497035    1388.59   -92.8836     905.928   87.1164      1039.97   87.1164      
1 1 1 -18 6  4  o 19 8.7722       0.654523    1217.72   164.009      118.748   164.009      453.901   -15.9909     
1 1 1 -18 6  5  o 12 15.104       1.03679     1110.85   -54.674      909.914   -54.674      11.0267   125.326      
1 1 1 -18 6  6  o 1  7.99139      0.549277    1586.2    53.979       128.604   -126.021     724.789   -126.021     
1 1 1 -18 6  7  o 8  30.0492      1.28025     1728.89   -14.4685     1372.28   -14.4685     26.347    165.531      
1 1 1 -18 6  8  o 17 1.16862      0.200936    472.482   80.3129      ?         ?            ?         ?            
1 1 1 -18 6  9  o 4  55.537       1.96257     1983.6    -171.24      2379.24   -171.24      391.297   -171.24      
1 1 1 -18 6  10 o 18 0.80517      0.25875     246.617   -51.9071     170.282   128.093      183.943   128.093      
1 1 1 -18 6  11 o 15 2.97692      0.353232    695.817   87.3453      258.124   -92.6547     410.184   -92.6547     
1 1 1 -18 6  12 o 10 19.481       1.34462     1617.12   -33.5634     853.089   -33.5634     242.926   146.437      
1 1 1 -18 6  13 o 7  10.4255      0.738076    1255.48   -31.8924     362.78    -31.8924     357.346   148.108      
1 1 1 -18 6  14 o 1  47.1689      1.87335     1950.9    141.016      1884.02   141.016      75.2316   141.016      
1 1 1 -18 6  15 o 15 0.638073     0.274667    414.898   -127.007     ?         ?            ?         ?            
1 1 1 -18 6  16 o 2  8.82011      0.611761    916.916   10.3194      513.694   10.3194      158.911   -169.681     
1 1 1 -18 6  17 o 17 10.2251      0.677015    1090.64   -171.658     550.971   -171.658     216.553   8.34163      
1 1 1 -18 6  18 o 7  3.54155      0.798665    785.694   159.489      114.338   159.489      299.612   -20.5109     
1 1 1 -18 6  19 o 18 3.68863      0.393507    486.61    141.422      300.02    141.422      73.2822   -38.5777     
1 1 1 -18 6  20 o 2  4.05872      0.386186    443.401   -148.408     506.169   -148.408     54.7001   -148.408     
1 1 1 -18 6  21 o 6  2.01149      0.409523    235.741   178.877      251.274   178.877      27.6114   178.877      
1 1 1 -18 6  22 o 13 2.89264      0.490913    280.288   105.349      ?         ?            ?         ?            
1 1 1 -18 6  23 o 16 6.70226      0.511042    321.734   -40.4431     ?         ?            ?         ?            
1 1 1 -18 8  1  o 18 19.6954      0.975543    1183.9    11.7333      1156.05   11.7333      97.8871   11.7333      
1 1 1 -18 8  2  o 19 2.66286      0.440443    315.898   -40.2556     155.617   139.744      205.813   139.744      
1 1 1 -18 8  3  o 16 45.2674      1.445       1881.45   178.057      2061.86   178.057      270.356   178.057      
1 1 1 -18 8  4  o 3  10.3435      0.903704    327.054   104.583      394.201   104.583      65.3425   104.583      
1 1 1 -18 8  5  o 13 8.95346      0.760114    888.267   -39.5888     418.608   -39.5888     147.28    140.411      
1 1 1 -18 8  6  o 18 24.1225      1.21127     944.564   -22.138      1520.5    -22.138      381.83    -22.138      
1 1 1 -18 8  7  o 8  2.17466      0.277427    251.813   -60.0453     101.988   119.955      152.07    119.955      
1 1 1 -18 8  8  o 7  1.06179      0.218923    511.906   8.69825      ?         ?            ?         ?            
1 1 1 -18 8  9  o 18 38.5473      1.46603     1481.87   -112.218     1933.75   -112.218     356.471   -112.218     
1 1 1 -18 8  10 o 4  29.0083      1.44306     1712.91   -137.558     1326.74   -137.558     60.5007   42.4418      
1 1 1 -18 8  11 o 8  37.1217      1.53491     1631.69   49.7098      1765.18   49.7098      172.244   49.7098      
1 1 1 -18 8  12 o 2  19.1876      0.94123     1094.88   161.375      1011.85   161.375      16.704    161.375      
1 1 1 -18 8  13 o 6  0.312957     0.253228    293.584   -154.419     ?         ?            ?         ?            
1 1 1 -18 8  14 o 8  3.81373      0.440704    643.711   -62.5755     199.866   117.424      391.942   117.424      
1 1 1 -18 8  15 f 0  7.51071      0.539697    500.14    49.7966      563.685   49.7966      56.0947   49.7966      
1 1 1 -18 8  16 o 12 2.67097      0.433503    447.746   -98.9868     91.9406   -98.9868     156.616   81.0132      
1 1 1 -18 8  17 o 10 4.58383      0.461611    710.35    -117.96      279.525   -117.96      185.358   62.0395      
1 1 1 -18 8  18 o 7  2.41098      0.397214    324.957   -77.4103     151.209   -77.4103     72.6492   102.59       
1 1 1 -18 8  19 o 11 0.537273     0.312723    248.822   -153.768     94.577    26.2323      155.538   26.2323      
1 1 1 -18 8  20 o 11 1.34111      0.461213    213.238   -155.252     70.7307   -155.252     51.0599   24.7477      
1 1 1 -18 8  21 o 11 4.04436      0.43279     349.111   165.471      ?         ?            ?         ?            
1 1 1 -18 8  22 o 6  0.293377     0.322263    144.177   -154.48      ?         ?            ?         ?            
1 1 1 -18 10 1  o 4  10.3236      0.496962    853.543   86.774       629.515   86.774       39.0289   -93.226      
1 1 1 -18 10 2  o 10 31.3353      1.5331      920.151   29.8635      1975.01   29.8635      605.527   29.8635      
1 1 1 -18 10 3  o 12 6.31586      0.39514     414.942   -136.474     127.765   -136.474     109.158   43.5262      
1 1 1 -18 10 4  o 3  16.7224      0.942991    865.022   -121.593     1111.71   -121.593     192.292   -121.593     
1 1 1 -18 10 5  o 2  34.7568      1.44103     1452.68   -45.6997     1740.03   -45.6997     252.588   -45.6997     
1 1 1 -18 10 6  o 8  22.1259      1.13678     808.12    80.0691      1443.43   80.0691      373.287   80.0691      
1 1 1 -18 10 7  o 6  2.22331      0.382131    261.973   -126.6       123.969   53.3999      176.79    53.3999      
1 1 1 -18 10 8  o 12 2.2812       0.341749    557.4     -87.2495     315.608   92.7505      406.022   92.7505      
1 1 1 -18 10 9  o 2  1.36059      0.270234    529.881   -58.7409     323.677   121.259      400.807   121.259      
1 1 1 -18 10 10 o 6  9.08519      0.941542    955.412   -125.291     415.065   -125.291     226.118   54.7089      
1 1 1 -18 10 11 o 1  5.09248      0.500499    462.613   109.041      235.713   109.041      92.0107   -70.9589     
1 1 1 -18 10 12 o 8  19.6919      1.17451     1091.2    100.826      1260.66   100.826      137.341   100.826      
1 1 1 -18 10 13 o 10 10.0646      0.773076    791.207   141.059      785.637   141.059      35.7277   141.059      
1 1 1 -18 10 14 o 7  0.0596111    0.263295    449.453   -69.3249     378.577   110.675      393.559   110.675      
1 1 1 -18 10 15 o 6  3.09848      0.403238    233.341   -36.2233     121.843   -36.2233     46.1021   143.777      
1 1 1 -18 10 16 o 5  1.09718      0.338068    162.196   54.6627      65.5791   -125.337     106.52    -125.337     
1 1 1 -18 10 17 o 3  5.27276      0.647382    415.718   158.162      710.27    158.162      174.539   158.162      
1 1 1 -18 10 18 o 16 0.258117     0.267249    273.038   4.06517      166.009   -175.935     194.244   -175.935     
1 1 1 -18 10 19 o 12 0.495127     0.317552    178.703   80.6463      ?         ?            ?         ?            
1 1 1 -18 10 20 o 2  1.18218      0.384063    177.362   -171.542     ?         ?            ?         ?            
1 1 1 -18 12 1  o 15 1.55726      0.347563    847.758   -45.8932     453.748   134.107      611.788   134.107      
1 1 1 -18 12 2  o 2  11.0575      0.654569    614.539   -112.233     804.852   -112.233     123.378   -112.233     
1 1 1 -18 12 3  o 14 8.71604      0.623411    763.08    118.964      422.635   118.964      135.222   -61.0358     
1 1 1 -18 12 4  o 9  25.3993      0.903144    1344.3    -87.0699     1281.05   -87.0699     30.1374   -87.0699     
1 1 1 -18 12 5  o 19 0.580585     0.26091     625.689   116.488      ?         ?            ?         ?            
1 1 1 -18 12 6  o 12 29.4889      1.2712      1889.94   121.499      1178.22   121.499      266.82    -58.5015     
1 1 1 -18 12 7  o 8  5.51486      0.521034    955.168   -124.258     187.717   -124.258     337.756   55.7421      
1 1 1 -18 12 8  o 5  3.07289      0.381466    891.059   -146.285     78.3897   33.7151      441.206   33.7151      
1 1 1 -18 12 9  o 8  5.51384      0.623045    868.66    144.961      260.701   144.961      261.92    -35.0386     
1 1 1 -18 12 10 o 13 7.34781      0.67401     607.843   -127.537     652.023   -127.537     50.1868   -127.537     
1 1 1 -18 12 11 o 3  1.74815      0.409039    511.368   -31.6465     318.241   148.354      392.909   148.354      
1 1 1 -18 12 12 o 12 3.61664      0.655339    251.075   52.2083      322.367   52.2083      45.9891   52.2083      
1 1 1 -18 12 13 o 5  1.36989      0.400754    351.788   175.287      1.15383   175.287      158.893   -4.7129      
1 1 1 -18 12 14 o 3  1.34723      0.670565    228.151   -46.9943     34.346    -46.9943     82.5085   133.006      
1 1 1 -18 12 15 o 17 0.475271     0.380584    476.873   101.142      179.698   -78.8581     287.285   -78.8581     
1 1 1 -18 12 16 o 10 2.21774      0.494167    830.708   145.22       40.8337   145.22       309.354   -34.7798     
1 1 1 -18 12 17 o 12 1.70388      0.511454    245.401   75.1484      ?         ?            ?         ?            
1 1 1 -18 12 18 o 19 0.548966     0.520036    148.577   -54.5815     ?         ?            ?         ?            
1 1 1 -18 14 1  o 7  0.971241     0.405749    413.474   -53.2779     185.893   126.722      281.907   126.722      
1 1 1 -18 14 2  o 4  3.44914      0.466195    388.238   -96.8247     268.985   -96.8247     43.0025   83.1753      
1 1 1 -18 14 3  o 16 1.38657      0.411582    393.905   -112.285     111.373   67.7148      235.958   67.7148      
1 1 1 -18 14 4  o 3  4.39148      0.469293    628.173   120.476      353.293   120.476      111.246   -59.5244     
1 1 1 -18 14 5  o 5  0.336135     0.290703    403.847   163.394      352.929   -16.6056     361.759   -16.6056     
1 1 1 -18 14 6  o 10 4.24683      0.47675     597.601   -9.65984     377.478   -9.65984     85.3164   170.34       
1 1 1 -18 14 7  o 8  6.11118      0.550122    1008.61   -23.0302     343.477   -23.0301     288.745   156.97       
1 1 1 -18 14 8  f 0  0.995393     0.395938    582.785   -157.732     283.891   22.2684      404.937   22.2684      
1 1 1 -18 14 9  o 10 1.49496      0.448851    377.107   68.3064      95.6969   68.3064      118.642   -111.694     
1 1 1 -18 14 10 o 11 3.11984      0.482244    717.337   150.493      228.377   150.493      192.357   -29.5071     
1 1 1 -18 14 11 o 15 1.17954      0.381114    263.764   123.529      36.8203   123.529      90.1345   -56.4707     
1 1 1 -18 14 12 o 17 0.243795     0.309456    204.04    94.6939      92.1283   -85.3061     127.454   -85.3061     
1 1 1 -18 14 13 o 17 0.795928     0.329335    314.258   -6.12433     21.2917   -6.12433     112.442   173.876      
1 1 1 -18 14 14 o 13 1.24424      0.401475    193.781   59.6907      ?         ?            ?         ?            
1 1 1 -18 14 15 o 12 0.524296     0.431052    314.892   40.2388      ?         ?            ?         ?            
1 1 1 -18 16 1  o 13 0.555968     0.454994    154.725   -54.7436     22.5661   125.256      73.5185   125.256      
1 1 1 -18 16 2  o 2  2.13433      0.476562    417.565   79.5516      281.023   79.5516      27.2124   -100.448     
1 1 1 -18 16 3  o 7  3.32406      0.459055    484.569   -10.0054     492.146   -10.0054     52.1801   -10.0054     
1 1 1 -18 16 4  o 17 1.84944      0.550666    391.126   163.019      218.664   163.019      46.3002   -16.9808     
1 1 1 -18 16 5  o 14 1.11065      0.364304    278.724   -70.3939     123.051   -70.3939     48.6782   109.606      
1 1 1 -18 16 6  o 3  0.420576     0.303343    279.143   4.30742      70.7126   -175.693     145.018   -175.693     
1 1 1 -18 16 7  o 12 0.25258      0.31515     156.65    -89.9457     67.7179   90.0543      94.9409   90.0543      
1 1 1 -18 16 8  o 11 1.11015      0.31817     304.691   -111.991     175.294   -111.991     29.6732   68.0086      
1 1 1 -18 16 9  f 0  0.0244698    0.311241    449.725   63.4586      ?         ?            ?         ?            
1 1 1 -18 16 10 o 10 1.13466      0.559297    220.411   16.3428      ?         ?            ?         ?            
1 1 1 -17 1  1  f 0  206.464      8.87337     3751.34   69.121       4126.63   69.121       297.728   69.121       
1 1 1 -17 1  2  f 0  164.259      5.37312     2898.74   -107.806     3452.66   -107.806     366.512   -107.806     
1 1 1 -17 1  3  o 12 13.1987      1.02192     808.104   -110.392     ?         ?            ?         ?            
1 1 1 -17 1  4  o 16 23.391       0.97741     1450.85   6.82141      1.68697   -173.179     664.97    -173.179     
1 1 1 -17 1  5  o 8  77.4038      2.69228     2867.46   -157.012     1748.38   -157.012     412.853   22.9884      
1 1 1 -17 1  6  o 6  14.5233      0.888897    401.51    -153.317     62.9132   -153.317     145.121   26.6834      
1 1 1 -17 1  7  o 4  19.2711      0.980866    1579.22   156.26       429.561   156.26       468.166   -23.7397     
1 1 1 -17 1  8  o 17 43.7049      2.11714     1714.65   -168.725     1669.9    -168.725     101.545   -168.725     
1 1 1 -17 1  9  o 4  25.3161      1.03804     1996.55   14.1428      549.407   14.1428      573.046   -165.857     
1 1 1 -17 1  10 f 0  16.8265      0.828017    1663.67   24.5887      583.383   24.5887      408.167   -155.411     
1 1 1 -17 1  11 o 13 8.11974      0.57114     387.361   3.90986      403.896   3.90986      41.554    3.90986      
1 1 1 -17 1  12 o 14 40.2146      1.71598     2146.02   1.39704      1506.34   1.39704      117.91    -178.603     
1 1 1 -17 1  13 o 8  74.9678      2.25506     2143.78   -122.729     2952.42   -122.729     617.052   -122.729     
1 1 1 -17 1  14 o 13 2.49062      0.280398    648.371   0.00670756   ?         ?            ?         ?            
1 1 1 -17 1  15 o 4  50.5077      1.90915     1803.76   97.1921      2237.66   97.1921      364.898   97.1921      
1 1 1 -17 1  16 o 15 10.114       0.585769    714.753   -146.437     553.318   -146.437     35.8941   33.5632      
1 1 1 -17 1  17 o 15 8.42107      0.591929    615.848   -88.8641     462.918   -88.8641     46.5282   91.1359      
1 1 1 -17 1  18 o 10 17.7189      1.01256     723.03    124.906      1293.95   124.906      318.897   124.906      
1 1 1 -17 1  19 o 12 2.39317      0.527306    149.393   -35.3629     ?         ?            ?         ?            
1 1 1 -17 1  20 o 3  16.5058      0.845357    566.939   -106.881     1406.66   -106.881     445.483   -106.881     
1 1 1 -17 1  21 o 17 1.27428      0.331905    563.893   44.8417      117.805   -135.158     317.4     -135.158     
1 1 1 -17 1  22 o 5  7.55971      0.558644    373.746   -50.2723     909.163   -50.2723     290.652   -50.2723     
1 1 1 -17 1  23 o 9  3.47862      0.634984    246.65    21.4009      477.87    21.4009      139.232   21.4009      
1 1 1 -17 1  24 o 11 3.62388      0.469554    37.2042   -136.556     ?         ?            ?         ?            
1 1 1 -17 3  1  o 14 8.79059      0.756215    566.148   68.746       ?         ?            ?         ?            
1 1 1 -17 3  2  o 12 58.4584      2.42878     1907.88   31.393       1148.96   31.393       282.249   -148.607     
1 1 1 -17 3  3  o 14 85.6503      2.36879     2037.66   86.6433      2591.15   86.6433      387.628   86.6433      
1 1 1 -17 3  4  f 0  182.58       5.66258     3704.5    81.7796      3742.02   81.7796      238.625   81.7796      
1 1 1 -17 3  5  o 14 140.589      3.83826     3456.11   -81.1189     3168.56   -81.1189     79.8828   -81.1189     
1 1 1 -17 3  6  o 4  67.9083      2.26364     2370.28   -135.112     2100.64   -135.112     29.6507   -135.112     
1 1 1 -17 3  7  o 13 81.0606      2.84013     2514.93   172.02       2482.34   172.02       166.764   172.02       
1 1 1 -17 3  8  o 7  47.7822      2.10182     2608.67   -93.6233     1308.38   -93.6233     453.404   86.3767      
1 1 1 -17 3  9  f 0  2.22754      0.266885    58.5961   -54.2527     ?         ?            ?         ?            
1 1 1 -17 3  10 o 3  30.6803      1.34445     1870.07   13.2875      1221      13.2875      166.621   -166.713     
1 1 1 -17 3  11 o 10 41.7482      1.4535      1562.79   -156.292     2058.47   -156.292     391.568   -156.292     
1 1 1 -17 3  12 o 1  7.88844      0.460811    1102.67   15.016       3.72126   15.016       441.151   -164.984     
1 1 1 -17 3  13 o 6  10.1541      0.603035    1373.67   -17.2181     354.495   -17.2181     374.395   162.782      
1 1 1 -17 3  14 o 4  6.5762       0.396174    768.084   -130.399     176.172   -130.399     227.529   49.6007      
1 1 1 -17 3  15 o 3  22.1186      1.36414     815.66    -120.405     1345.47   -120.405     323.454   -120.405     
1 1 1 -17 3  16 o 19 49.0738      1.59264     1605.12   122.112      2274.53   122.112      421.96    122.112      
1 1 1 -17 3  17 o 4  4.50291      0.392252    376.152   116.614      38.0909   116.614      151.679   -63.3863     
1 1 1 -17 3  18 o 6  9.68334      0.564851    719.683   -139.561     691.626   -139.561     20.2188   -139.561     
1 1 1 -17 3  19 o 2  17.3723      0.932442    920.555   152.176      1280.73   152.176      224.586   152.176      
1 1 1 -17 3  20 o 12 16.1878      0.8233      399.35    158.217      1525.56   158.217      580.076   158.217      
1 1 1 -17 3  21 o 10 10.3006      0.998752    445.984   -42.3541     1142.72   -42.3541     368.64    -42.3541     
1 1 1 -17 3  22 o 11 2.83828      0.408969    313.506   -128.848     405.706   -128.848     69.4099   -128.848     
1 1 1 -17 3  23 o 12 4.8569       0.480018    654.283   22.7697      ?         ?            ?         ?            
1 1 1 -17 3  24 o 11 4.60722      0.519023    316.111   16.973       ?         ?            ?         ?            
1 1 1 -17 5  1  o 8  19.9031      1.05912     1706.59   -174.211     62.1494   -174.211     700.91    5.78932      
1 1 1 -17 5  2  o 1  45.6071      2.05775     1293.99   -92.8097     2103.06   -92.8097     496.969   -92.8097     
1 1 1 -17 5  3  o 12 26.6128      1.47163     1222.26   115.83       1084.42   115.83       19.4418   115.83       
1 1 1 -17 5  4  o 2  16.9723      0.890201    721.977   128.915      279.435   128.915      168.223   -51.0845     
1 1 1 -17 5  5  o 2  39.76        1.51298     1916.26   97.0538      1588.29   97.0538      20.505    -82.9462     
1 1 1 -17 5  6  o 6  15.5295      1.06071     515.161   0.0545923    748.63    0.0545923    156.237   0.0545923    
1 1 1 -17 5  7  o 5  19.3214      0.832119    1133.42   -82.8481     1044.21   -82.8481     45.4403   -82.8481     
1 1 1 -17 5  8  o 9  21.0373      0.912075    1082.17   106.887      1153.43   106.887      126.318   106.887      
1 1 1 -17 5  9  o 7  69.9529      2.09156     1541.79   58.0639      3040.14   58.0639      887.54    58.0639      
1 1 1 -17 5  10 o 10 21.2265      1.49494     918.094   -33.5293     1375.93   -33.5293     316.951   -33.5293     
1 1 1 -17 5  11 o 2  9.61216      0.716925    559.505   -159.376     646.904   -159.376     99.2709   -159.376     
1 1 1 -17 5  12 o 1  13.8417      0.778929    976.41    161.809      138.631   161.809      324.53    -18.1906     
1 1 1 -17 5  13 o 7  12.4326      1.02457     572.782   -129.718     649.719   -129.718     87.7261   -129.718     
1 1 1 -17 5  14 o 9  33.5501      1.18911     1457.41   -22.344      1675.08   -22.344      210.065   -22.344      
1 1 1 -17 5  15 o 7  52.2876      1.42805     1109.72   -179.512     2660.66   -179.512     835.066   -179.512     
1 1 1 -17 5  16 o 9  1.73493      0.266156    89.2661   18.4073      49.004    -161.593     65.0135   -161.593     
1 1 1 -17 5  17 o 5  66.3105      2.20267     780.483   91.9604      3453.72   91.9604      1373.57   91.9604      
1 1 1 -17 5  18 o 9  2.13895      0.320438    313.471   -139.368     8.21717   40.6323      145.592   40.6323      
1 1 1 -17 5  19 o 17 2.07703      0.368952    361.523   -13.0748     35.6735   -13.0748     147.165   166.925      
1 1 1 -17 5  20 o 1  4.45743      0.646878    522.496   63.6097      439.931   63.6097      18.9347   -116.39      
1 1 1 -17 5  21 o 13 9.63986      0.602829    579.85    -152.153     1070.07   -152.153     282.958   -152.153     
1 1 1 -17 5  22 o 19 1.47051      0.344722    311.882   -31.7354     171.67    -31.7354     39.742    148.265      
1 1 1 -17 5  23 f 0  -0.0506028   0.312782    46.1549   -105.361     ?         ?            ?         ?            
1 1 1 -17 7  1  o 17 48.7616      2.16558     1700.94   -169.292     2279.73   -169.292     429.361   -169.292     
1 1 1 -17 7  2  o 2  17.017       0.827954    1296.28   -6.75759     969.745   -6.75759     56.0742   173.242      
1 1 1 -17 7  3  o 12 2.032        0.266316    1084.08   -88.9634     841.671   91.0366      871.985   91.0366      
1 1 1 -17 7  4  o 9  12.9067      0.997127    1330.03   -105.064     646.693   -105.064     227.541   74.9358      
1 1 1 -17 7  5  o 11 10.2443      0.598225    811.652   107.383      524.853   107.383      71.4447   -72.6169     
1 1 1 -17 7  6  o 5  7.98531      0.510293    1181.36   -146.458     515.847   33.5424      739.641   33.5424      
1 1 1 -17 7  7  o 19 21.1381      0.79748     1318.54   -38.2802     1287.25   -38.2802     110.946   -38.2802     
1 1 1 -17 7  8  o 2  10.3845      0.498744    1100.57   -158.775     422.842   -158.775     230.087   21.2254      
1 1 1 -17 7  9  f 0  2.50014      0.291561    308.187   64.1397      72.4698   -115.86      159.814   -115.86      
1 1 1 -17 7  10 o 13 25.9718      1.19681     1004.13   -131.019     1624.58   -131.019     405.35    -131.019     
1 1 1 -17 7  11 o 2  49.205       2.49087     2322.95   -157.856     1817.9    -157.856     54.9676   22.144       
1 1 1 -17 7  12 f 0  3.02933      0.299174    1129.28   134.744      577.783   -45.256      773.255   -45.256      
1 1 1 -17 7  13 f 0  42.4495      2.40551     1629.55   51.2027      1823.97   51.2027      189.785   51.2027      
1 1 1 -17 7  14 o 9  5.08705      0.564759    511.885   -62.3146     96.3924   117.685      279.766   117.685      
1 1 1 -17 7  15 o 2  5.61886      0.470397    851.431   162.858      110.868   162.858      330.998   -17.1419     
1 1 1 -17 7  16 o 4  1.98342      0.356599    776.321   163.948      273.56    -16.0521     487.244   -16.0521     
1 1 1 -17 7  17 o 12 1.43539      0.367793    317.479   132.31       200.249   -47.6895     243.804   -47.6895     
1 1 1 -17 7  18 o 9  1.26725      0.305144    558.578   53.9212      345.258   -126.079     428.504   -126.079     
1 1 1 -17 7  19 o 4  5.85648      0.67119     557.618   -35.0369     623.412   -35.0369     58.2866   -35.0369     
1 1 1 -17 7  20 o 10 6.55785      0.615913    496.101   -79.7518     749.731   -79.7518     162.058   -79.7518     
1 1 1 -17 7  21 o 1  0.53438      0.293654    216.403   -112.694     61.8468   67.3058      117.525   67.3058      
1 1 1 -17 7  22 o 10 3.0538       0.410505    206.798   -178.017     ?         ?            ?         ?            
1 1 1 -17 9  1  o 19 23.5895      1.07866     1018.16   37.778       1509.66   37.778       346.879   37.778       
1 1 1 -17 9  2  o 2  7.42351      0.531409    423.867   33.3295      394.394   33.3295      27.3389   33.3295      
1 1 1 -17 9  3  o 1  9.89993      0.638805    1595.55   -127.442     171.482   -127.442     554.097   52.558       
1 1 1 -17 9  4  o 3  12.6159      0.697564    1410.65   128.882      606.881   128.882      263.391   -51.1182     
1 1 1 -17 9  5  f 0  1.49214      0.386484    453.67    93.2953      205.696   -86.7047     285.978   -86.7047     
1 1 1 -17 9  6  o 13 2.34228      0.266173    969.474   -8.32438     768.823   171.676      779.144   171.676      
1 1 1 -17 9  7  o 17 10.5274      0.606163    1018.23   -17.9219     450.66    -17.9219     195.112   162.078      
1 1 1 -17 9  8  o 10 0.142079     0.191905    404.132   68.2596      ?         ?            ?         ?            
1 1 1 -17 9  9  o 13 3.52402      0.654413    282.258   101.391      41.1753   -78.6086     142.358   -78.6086     
1 1 1 -17 9  10 o 11 1.49537      0.370887    668.986   -80.6347     581.908   99.3653      586.63    99.3653      
1 1 1 -17 9  11 o 17 23.6792      1.3633      1681.78   118.412      989.012   118.412      262.739   -61.5877     
1 1 1 -17 9  12 o 4  5.38549      0.574616    279.253   -10.837      178.954   -10.837      37.3011   169.163      
1 1 1 -17 9  13 o 16 11.7129      0.776141    485.414   42.7822      791.353   42.7822      175.699   42.7822      
1 1 1 -17 9  14 o 15 3.42374      0.390363    206.875   158.872      20.4171   158.872      83.137    -21.1277     
1 1 1 -17 9  15 o 18 3.55523      0.82868     514.668   97.0543      224.139   97.0543      120.913   -82.9457     
1 1 1 -17 9  16 o 13 5.05292      0.576262    320.626   -70.1277     447.936   -70.1277     77.2301   -70.1277     
1 1 1 -17 9  17 o 19 6.53073      0.598551    111.275   57.5381      456.326   57.5381      177.33    57.5381      
1 1 1 -17 9  18 o 17 6.18549      0.524821    286.522   -5.26487     823.614   -5.26487     286.219   -5.26487     
1 1 1 -17 9  19 o 13 2.31677      0.382955    295.622   -38.9216     301.682   -38.9216     29.8614   -38.9216     
1 1 1 -17 9  20 o 13 0.358328     0.298945    185.807   -126.441     ?         ?            ?         ?            
1 1 1 -17 9  21 o 15 4.93509      0.662156    249.175   32.4874      ?         ?            ?         ?            
1 1 1 -17 11 1  o 5  20.3904      0.762997    1092.39   -32.7931     1219.02   -32.7931     130.419   -32.7931     
1 1 1 -17 11 2  o 18 23.946       1.25292     934.338   -103.65      1433.13   -103.65      306.147   -103.65      
1 1 1 -17 11 3  o 5  13.922       0.841815    1443.07   151.369      559.608   151.369      356.709   -28.6306     
1 1 1 -17 11 4  o 12 4.16905      0.738337    718.983   103.602      73.1299   -76.3977     355.679   -76.3977     
1 1 1 -17 11 5  o 12 5.7478       0.38695     320.501   -156.987     73.858    -156.987     106.389   23.0131      
1 1 1 -17 11 6  o 11 6.85018      0.866191    803.153   -58.521      60.0849   -58.521      331.763   121.479      
1 1 1 -17 11 7  o 5  3.19151      0.336892    685.457   131.355      123.027   -48.6451     372.046   -48.6451     
1 1 1 -17 11 8  o 16 11.6633      0.743495    1297.67   78.8441      520.947   78.8441      328.823   -101.156     
1 1 1 -17 11 9  o 11 0.706722     0.292656    501.911   165.887      418.277   -14.1125     436.77    -14.1125     
1 1 1 -17 11 10 o 1  0.645691     0.290185    248.373   56.4622      210.626   -123.538     217.57    -123.538     
1 1 1 -17 11 11 o 1  7.33727      0.626127    478.842   132.218      621.276   132.218      94.616    132.218      
1 1 1 -17 11 12 o 19 0.741931     0.41646     387.246   -80.1365     335.617   99.8635      343.165   99.8635      
1 1 1 -17 11 13 o 13 0.574239     0.379234    346.78    -3.69993     298.936   176.3        307.901   176.3        
1 1 1 -17 11 14 o 16 4.67786      0.569196    390.872   62.9996      493.784   62.9996      67.6103   62.9996      
1 1 1 -17 11 15 o 18 5.86994      0.640309    722.046   -53.8101     524.213   -53.8101     62.8875   126.19       
1 1 1 -17 11 16 o 3  0.60425      0.386861    170.909   -124.025     ?         ?            ?         ?            
1 1 1 -17 11 17 o 10 0.417871     0.328289    159.017   68.485       71.3507   -111.515     99.9019   -111.515     
1 1 1 -17 11 18 o 7  1.05848      0.443247    134.294   129          ?         ?            ?         ?            
1 1 1 -17 11 19 o 18 0.276006     0.317388    301.001   120.329      ?         ?            ?         ?            
1 1 1 -17 13 1  o 8  1.49923      0.380041    502.498   172.455      213.851   -7.54467     333.718   -7.54467     
1 1 1 -17 13 2  o 16 5.80894      0.599459    664.365   -10.8884     310.327   -10.8884     144.65    169.112      
1 1 1 -17 13 3  o 17 1.58831      0.321782    193.359   -125.842     69.7602   54.1578      122.118   54.1578      
1 1 1 -17 13 4  o 13 1.7721       0.362817    213.452   -173.324     42.5331   6.67561      117.561   6.67561      
1 1 1 -17 13 5  o 15 2.12652      0.366401    427.458   118.871      159.918   -61.1292     272.897   -61.1292     
1 1 1 -17 13 6  o 4  0.425245     0.251565    399.2     117.128      ?         ?            ?         ?            
1 1 1 -17 13 7  o 15 3.08036      0.537691    95.6062   132.58       56.1849   132.58       15.2916   -47.42       
1 1 1 -17 13 8  o 9  0.655801     0.357784    326.233   37.2127      186.927   -142.787     242.28    -142.787     
1 1 1 -17 13 9  o 7  7.5835       0.603709    572.229   -97.6593     761.81    -97.6593     118.581   -97.6593     
1 1 1 -17 13 10 o 5  0.895201     0.327748    561.352   101.086      333.913   -78.9137     424.25    -78.9137     
1 1 1 -17 13 11 o 6  0.860501     0.447274    383.285   -111.732     157.008   68.268       251.985   68.268       
1 1 1 -17 13 12 o 11 0.0742263    0.267602    286.688   -31.2028     ?         ?            ?         ?            
1 1 1 -17 13 13 o 9  2.26225      0.449688    563.211   -61.1596     223.913   -61.1596     124.112   118.84       
1 1 1 -17 13 14 o 13 0.918576     0.410372    177.316   17.7573      40.5135   17.7573      50.9343   -162.243     
1 1 1 -17 13 15 o 16 2.60746      0.495929    328.132   -108.184     ?         ?            ?         ?            
1 1 1 -17 13 16 f 0  -0.0853746   0.46001     467.11    -70.397      ?         ?            ?         ?            
1 1 1 -17 15 1  o 13 2.71164      0.422102    519.811   154.472      173.982   154.472      146.778   -25.5275     
1 1 1 -17 15 2  o 19 0.710701     0.470024    132.86    132.759      42.352    -47.2408     80.8353   -47.2408     
1 1 1 -17 15 3  o 13 1.68722      0.529131    247.728   -20.2829     82.0026   -20.2829     69.7522   159.717      
1 1 1 -17 15 4  o 12 1.31878      0.395331    258.746   121.594      54.8698   121.594      87.3289   -58.4061     
1 1 1 -17 15 5  o 5  0.872456     0.394014    201.502   161.421      35.259    -18.579      105.897   -18.579      
1 1 1 -17 15 6  o 9  4.11596      0.448039    654.077   -174.492     438.936   -174.492     62.0233   5.50826      
1 1 1 -17 15 7  o 7  0.53565      0.279       471.173   -119.904     206.985   60.0956      301.722   60.0956      
1 1 1 -17 15 8  o 17 0.64121      0.270397    153.312   -29.4033     27.4617   150.597      76.6204   150.597      
1 1 1 -17 15 9  o 1  1.83256      0.439907    322.287   -176.023     253.196   -176.023     2.58246   3.97678      
1 1 1 -17 15 10 o 12 3.05983      0.506558    565.688   88.4899      419.213   88.4899      13.4418   -91.5101     
1 1 1 -17 15 11 o 2  1.92068      0.501554    171.414   73.7072      313.681   73.7072      90.1438   73.7072      
1 1 1 -17 15 12 o 4  1.34044      0.464398    393.805   176.058      ?         ?            ?         ?            
1 1 1 -17 15 13 o 10 0.324537     0.32965     163.239   44.3856      ?         ?            ?         ?            
1 1 1 -17 17 1  o 7  0.164707     0.328177    187.912   112.173      56.5253   -67.8268     99.5924   -67.8268     
1 1 1 -17 17 2  o 2  0.23043      0.327452    300.293   -75.7177     91.4611   104.282      159.53    104.282      
1 1 1 -17 17 3  o 18 0.812727     0.361275    192.16    131.952      79.5334   131.952      32.7411   -48.0478     
1 1 1 -17 17 4  o 18 0.168099     0.31494     316.408   -45.8644     ?         ?            ?         ?            
1 1 1 -17 17 5  o 12 0.913337     0.52744     107.963   -100.465     ?         ?            ?         ?            
1 1 1 -16 0  1  o 9  1.17937      0.822661    597.254   0            ?         ?            ?         ?            
1 1 1 -16 0  2  o 6  1.50273      0.271408    692.521   180          ?         ?            ?         ?            
1 1 1 -16 0  3  o 16 0.704256     0.258032    54.4575   180          ?         ?            ?         ?            
1 1 1 -16 0  4  o 13 0.566398     0.647983    187.382   180          ?         ?            ?         ?            
1 1 1 -16 0  5  o 17 206.383      12.5056     3830.09   0            4283.75   0            401.536   0            
1 1 1 -16 0  6  o 11 118.11       6.53187     2326.46   180          3838.63   180          886.723   180          
1 1 1 -16 0  7  o 11 8.46563      1.16753     731.027   0            453.089   180          544.45    180          
1 1 1 -16 0  8  o 13 0.772097     0.204265    30.3357   180          24.9258   3.09024e-16  25.4747   1.51183e-16  
1 1 1 -16 0  9  o 11 1.13899      0.258347    1304.42   0            1100.79   180          1105.28   180          
1 1 1 -16 0  10 f 0  23.9875      1.53847     186.267   180          760.735   180          301.808   180          
1 1 1 -16 0  11 o 8  5.41177      0.594809    1298.75   180          28.0669   180          525.702   7.39133e-15  
1 1 1 -16 0  12 o 5  5.2435       0.975621    813.302   180          ?         ?            ?         ?            
1 1 1 -16 0  13 o 5  31.2371      1.89546     805.336   0            2399.2    0            876.56    0            
1 1 1 -16 0  14 o 19 40.1495      2.44912     1060.26   180          2530.33   180          837.865   180          
1 1 1 -16 0  15 o 16 53.6283      2.40006     1590.83   0            2644.18   0            660.663   0            
1 1 1 -16 0  16 o 6  13.2872      1.0672      856.194   0            975.621   0            115.228   0            
1 1 1 -16 0  17 o 1  11.3376      0.794311    1432.96   180          376.306   180          457.353   1.279e-14    
1 1 1 -16 0  18 o 8  56.2882      3.12877     1236.02   0            2999.97   0            938.901   0            
1 1 1 -16 0  19 o 9  21.9027      1.39831     551.553   0            1978.88   0            740.566   0            
1 1 1 -16 0  20 o 17 13.699       1.02388     144.042   0            822.655   0            345.894   0            
1 1 1 -16 0  21 o 13 9.73937      0.985205    382.307   180          790.773   180          220.027   180          
1 1 1 -16 0  22 o 17 4.54136      0.625841    641.387   0            581.913   0            8.2591    0            
1 1 1 -16 0  23 o 17 17.8885      1.22192     479.718   180          1950.04   180          780.325   180          
1 1 1 -16 0  24 o 2  5.33401      1.67861     264.276   180          ?         ?            ?         ?            
1 1 1 -16 2  1  o 1  36.0222      1.66378     1048.07   -95.832      1037.85   -95.832      29.3817   -95.832      
1 1 1 -16 2  2  o 17 55.4431      2.10555     815.061   -178.307     688.89    -178.307     34.8419   1.6928       
1 1 1 -16 2  3  o 14 61.4478      2.22403     2030.67   146.701      1443.21   146.701      214.24    -33.2989     
1 1 1 -16 2  4  o 16 104.134      3.51487     2403.68   -78.0603     2892.42   -78.0603     355.182   -78.0603     
1 1 1 -16 2  5  o 7  53.506       1.92506     2153.71   18.1185      1668.8    18.1185      125.05    -161.882     
1 1 1 -16 2  6  o 18 14.6682      0.854138    587.173   -105.525     21.1817   74.4753      267.362   74.4753      
1 1 1 -16 2  7  o 5  15.3562      0.697828    1080.44   44.2142      ?         ?            ?         ?            
1 1 1 -16 2  8  o 12 10.8568      0.654674    369.184   139.077      123.132   139.077      96.0479   -40.9233     
1 1 1 -16 2  9  o 7  4.36341      0.376713    566.378   -136.446     427.666   43.5538      453.934   43.5538      
1 1 1 -16 2  10 o 3  11.3397      0.6736      926.235   79.3526      592.164   79.3526      92.5689   -100.647     
1 1 1 -16 2  11 o 3  29.1688      1.20733     1191.4    34.2281      1755.32   34.2281      386.089   34.2281      
1 1 1 -16 2  12 o 10 3.16488      0.285642    408.137   -101.33      57.9091   78.6696      194.106   78.6696      
1 1 1 -16 2  13 o 13 13.4325      0.677319    998.382   23.3063      778.121   23.3063      10.9086   -156.694     
1 1 1 -16 2  14 o 12 33.0467      1.68594     1562.44   -67.3511     1480.12   -67.3511     106.321   -67.3511     
1 1 1 -16 2  15 o 10 26.4266      0.999694    608.627   130.225      1701.51   130.225      594.713   130.225      
1 1 1 -16 2  16 o 19 30.5569      1.69799     1240.17   105.111      1644.1    105.111      276.572   105.111      
1 1 1 -16 2  17 o 19 1.98326      0.323466    921.588   11.8226      556.765   -168.177     695.305   -168.177     
1 1 1 -16 2  18 o 1  5.86414      0.448172    94.6221   -50.9129     96.3401   -50.9129     5.26699   -50.9129     
1 1 1 -16 2  19 o 6  8.30032      0.616512    1067.78   -154.794     27.0985   -154.794     468.166   25.2064      
1 1 1 -16 2  20 o 15 10.3652      0.700686    491.558   -33.2719     996.041   -33.2719     274.033   -33.2719     
1 1 1 -16 2  21 o 10 8.74539      0.690196    644.173   -58.2613     845.037   -58.2613     127.712   -58.2613     
1 1 1 -16 2  22 o 4  13.1393      0.856723    787.867   -68.2129     1154.71   -68.2129     234.961   -68.2129     
1 1 1 -16 2  23 o 18 7.0671       0.674436    420.797   -83.4617     927.718   -83.4617     294.944   -83.4617     
1 1 1 -16 2  24 o 11 4.0286       0.500352    228.042   -75.576      ?         ?            ?         ?            
1 1 1 -16 4  1  o 15 8.43279      0.713161    1370.26   112.227      683.142   -67.7731     944.425   -67.7731     
1 1 1 -16 4  2  o 4  38.3423      1.39945     856.004   81.8746      1229.93   81.8746      239.251   81.8746      
1 1 1 -16 4  3  o 18 26.1637      1.0743      1039.27   81.5363      378.673   81.5363      264.293   -98.4637     
1 1 1 -16 4  4  o 18 22.105       0.782358    1679.36   141.458      526.881   141.458      464.167   -38.5423     
1 1 1 -16 4  5  o 17 1.49663      0.177175    944.527   81.9961      ?         ?            ?         ?            
1 1 1 -16 4  6  o 1  8.34695      0.523716    533.73    -87.8334     7.82328   92.1666      231.968   92.1666      
1 1 1 -16 4  7  o 2  17.3019      0.945416    1036.7    121.215      705.829   121.215      87.6853   -58.7848     
1 1 1 -16 4  8  o 16 14.4542      0.703135    1208.54   -99.8722     233.098   80.1278      626.842   80.1278      
1 1 1 -16 4  9  o 2  35.6278      2.40008     1678.05   -35.9527     1630.28   -35.9527     114.156   -35.9527     
1 1 1 -16 4  10 o 17 43.0029      1.26226     3104.43   99.9159      360.759   99.9159      1095.93   -80.0841     
1 1 1 -16 4  11 o 19 59.6816      2.16334     2340.24   -44.444      2193.81   -44.444      151.133   -44.444      
1 1 1 -16 4  12 o 2  6.74335      0.571152    1011.44   -70.2971     240.383   -70.2971     285.01    109.703      
1 1 1 -16 4  13 o 4  4.69406      0.389236    508.443   42.0317      370.989   -137.968     391.277   -137.968     
1 1 1 -16 4  14 o 10 159.355      5.02817     2996.78   -94.9033     4271.07   -94.9033     883.257   -94.9033     
1 1 1 -16 4  15 o 17 19.6642      0.67298     1141.37   72.9142      1131.68   72.9142      68.191    72.9142      
1 1 1 -16 4  16 o 5  28.3879      1.82177     958.203   -18.0095     1732.1    -18.0095     434.605   -18.0095     
1 1 1 -16 4  17 o 8  51.6203      1.89532     1076.67   -20.5738     2636.46   -20.5738     829.361   -20.5738     
1 1 1 -16 4  18 o 14 5.75213      0.700635    353.988   129.24       297.6     129.24       11.006    -50.7596     
1 1 1 -16 4  19 o 15 24.0509      1.0634      1100.77   -135.347     1588.76   -135.347     295.563   -135.347     
1 1 1 -16 4  20 o 16 12.1767      0.732488    268.972   -72.6336     1077.55   -72.6336     415.371   -72.6336     
1 1 1 -16 4  21 o 13 6.41038      0.488755    77.0827   47.6673      372.671   47.6673      151.787   47.6673      
1 1 1 -16 4  22 o 12 3.91378      0.485223    228.562   175.139      564.64    175.139      187.456   175.139      
1 1 1 -16 4  23 o 10 1.22621      0.381432    260.587   14.991       ?         ?            ?         ?            
1 1 1 -16 4  24 o 11 2.0696       0.362643    239.491   79.8737      ?         ?            ?         ?            
1 1 1 -16 6  1  o 5  31.4151      1.4461      1167.77   -42.5453     1567.38   -42.5453     287.531   -42.5453     
1 1 1 -16 6  2  o 7  49.7644      2.18102     2035.59   -144.266     1926.25   -144.266     98.7312   -144.266     
1 1 1 -16 6  3  o 18 45.618       2.54042     1330.02   -143.254     2246.1    -143.253     559.114   -143.253     
1 1 1 -16 6  4  o 3  15.9447      0.853445    580.133   130.866      828.391   130.866      168.861   130.866      
1 1 1 -16 6  5  o 7  16.4114      1.20867     1243.19   140.504      894.601   140.504      76.2028   -39.4955     
1 1 1 -16 6  6  o 17 5.10526      0.409323    523.466   -44.7226     ?         ?            ?         ?            
1 1 1 -16 6  7  o 10 31.9394      1.24689     1167.12   -173.529     1875.53   -173.529     454.43    -173.529     
1 1 1 -16 6  8  o 5  30.4672      1.177       1260.04   -153.347     1825      -153.347     397.309   -153.347     
1 1 1 -16 6  9  o 14 2.33936      0.265554    830.159   -5.3045      ?         ?            ?         ?            
1 1 1 -16 6  10 o 11 2.50318      0.334384    833.138   -163.501     ?         ?            ?         ?            
1 1 1 -16 6  11 o 1  35.7376      1.48755     1640.05   8.94028      1799.17   8.94028      239.04    8.94028      
1 1 1 -16 6  12 o 11 22.5719      1.96553     1011.22   143.792      1393.2    143.792      280.299   143.792      
1 1 1 -16 6  13 o 5  41.0606      1.53215     1424.82   -94.4592     2028.17   -94.4592     406.349   -94.4592     
1 1 1 -16 6  14 o 18 8.89091      0.750723    776.058   4.2699       128.827   4.2699       278.955   -175.73      
1 1 1 -16 6  15 o 3  9.54742      0.568254    634.148   -96.1161     586.344   -96.1161     6.20338   -96.1161     
1 1 1 -16 6  16 o 18 2.76777      0.350143    572.884   -160.623     229.82    19.3773      374.814   19.3773      
1 1 1 -16 6  17 o 4  6.84068      0.49699     776.343   79.7966      453.655   79.7966      123.471   -100.203     
1 1 1 -16 6  18 o 7  7.02298      0.901       462.682   1.99318      614.141   1.99318      97.183    1.99318      
1 1 1 -16 6  19 o 10 4.47302      0.529184    383.2     -26.3682     457.539   -26.3682     52.9459   -26.3682     
1 1 1 -16 6  20 o 2  2.66843      0.442339    153.764   128.645      128.637   128.645      4.69495   -51.3553     
1 1 1 -16 6  21 o 1  9.76828      0.643236    789.694   -32.0596     951.644   -32.0596     146.122   -32.0596     
1 1 1 -16 6  22 o 6  3.2005       0.593481    278.405   143.778      ?         ?            ?         ?            
1 1 1 -16 6  23 o 12 1.08846      0.335295    215.713   152.469      ?         ?            ?         ?            
1 1 1 -16 8  1  f 0  11.6528      0.722023    72.0481   24.2752      156.737   24.2752      48.9842   24.2752      
1 1 1 -16 8  2  o 7  6.93001      0.38369     539.316   -15.458      426.88    -15.458      6.26093   164.542      
1 1 1 -16 8  3  o 16 10.4959      0.706054    1530.52   28.3736      324.309   28.3736      459.53    -151.626     
1 1 1 -16 8  4  o 9  10.228       0.927375    545.605   21.5788      498.462   21.5788      28.5571   21.5788      
1 1 1 -16 8  5  o 9  3.11706      0.254409    718.698   -14.6712     188.923   165.329      383.738   165.329      
1 1 1 -16 8  6  o 17 7.64256      0.468169    341.394   48.4545      381.246   48.4545      53.7397   48.4545      
1 1 1 -16 8  7  o 9  35.2708      1.45379     608.667   -142.566     2308.15   -142.566     910.125   -142.566     
1 1 1 -16 8  8  o 3  5.36388      0.440253    907.136   -3.5021      92.9153   -3.5021      319.341   176.498      
1 1 1 -16 8  9  o 18 16.0978      0.968509    979.092   59.1097      617.905   59.1097      91.9115   -120.89      
1 1 1 -16 8  10 o 4  1.58562      0.552607    853.931   52.4549      673.808   -127.545     695.252   -127.545     
1 1 1 -16 8  11 o 10 31.8735      1.38189     1706.6    -13.2487     1318.91   -13.2487     78.8254   166.751      
1 1 1 -16 8  12 o 12 25.8214      1.07546     1505.02   12.4583      1125      12.4583      107.233   -167.542     
1 1 1 -16 8  13 o 5  49.0497      1.9325      1671.61   -86.1742     2073.08   -86.1742     279.771   -86.1742     
1 1 1 -16 8  14 o 8  12.5662      0.931456    481.276   176.105      929.86    176.105      246.492   176.105      
1 1 1 -16 8  15 o 10 6.94584      0.55023     375.111   174.506      501.435   174.506      81.3284   174.506      
1 1 1 -16 8  16 o 3  6.44392      0.721499    723.136   58.9255      409.68    58.9255      122.074   -121.075     
1 1 1 -16 8  17 o 10 5.871        0.468093    275.877   72.7072      563.737   72.7072      155.726   72.7072      
1 1 1 -16 8  18 o 13 3.85676      0.486787    511.171   108.215      395.949   108.215      35.6207   -71.7848     
1 1 1 -16 8  19 o 18 2.28427      0.379333    371.253   108.847      270.507   108.847      27.024    -71.1528     
1 1 1 -16 8  20 o 8  7.59089      0.567492    597.328   56.0882      937.375   56.0882      225.716   56.0882      
1 1 1 -16 8  21 f 0  1.10468      0.325019    182.145   -88.0123     ?         ?            ?         ?            
1 1 1 -16 8  22 o 7  3.50973      0.564735    457.958   39.4019      ?         ?            ?         ?            
1 1 1 -16 10 1  o 10 4.48458      0.461452    321.829   -64.0495     67.1858   115.95       165.814   115.95       
1 1 1 -16 10 2  o 1  39.4375      1.83902     1635.5    -121.736     1946.62   -121.736     300.249   -121.736     
1 1 1 -16 10 3  o 8  51.2525      1.64146     2776.72   22.7465      1570.58   22.7465      362.586   -157.254     
1 1 1 -16 10 4  o 7  27.3681      1.24491     1163.36   31.3298      1577.96   31.3298      304.337   31.3298      
1 1 1 -16 10 5  o 5  21.1052      1.18899     1816.43   87.6002      721.509   87.6002      404.518   -92.3998     
1 1 1 -16 10 6  o 7  6.64197      0.42099     794.847   -155.563     237.536   -155.563     221.088   24.4373      
1 1 1 -16 10 7  o 5  5.06366      0.399166    222.761   42.1842      48.6225   42.1842      72.6037   -137.816     
1 1 1 -16 10 8  o 3  3.21524      0.568271    599.995   -154.978     107.499   25.0221      319.473   25.0221      
1 1 1 -16 10 9  o 13 6.76291      0.495295    605.592   120.711      299.687   120.711      122.397   -59.2886     
1 1 1 -16 10 10 o 2  1.0394       0.452369    1258.51   71.003       1037.87   -108.997     1089.63   -108.997     
1 1 1 -16 10 11 o 18 31.6148      1.58595     1017.33   -121.435     1930.12   -121.435     503.27    -121.435     
1 1 1 -16 10 12 o 18 4.83234      0.61034     641.024   -49.2519     185.872   -49.2519     196.885   130.748      
1 1 1 -16 10 13 f 0  6.72857      0.584117    648.03    52.6409      511.614   52.6409      36.5693   -127.359     
1 1 1 -16 10 14 o 19 0.970834     0.585929    215.914   -26.1137     171.198   153.886      183.593   153.886      
1 1 1 -16 10 15 o 8  2.98726      0.428696    605.951   -131.483     133.101   -131.483     211.196   48.5171      
1 1 1 -16 10 16 o 14 10.4307      0.67072     570.199   -163.321     1100.26   -163.321     290.281   -163.321     
1 1 1 -16 10 17 o 6  5.24509      0.685814    353.789   178.726      725.286   178.726      208.091   178.726      
1 1 1 -16 10 18 o 5  1.10127      0.315293    324.484   -7.25314     56.1667   -7.25314     104.726   172.747      
1 1 1 -16 10 19 o 11 0.137252     0.284726    476.888   -4.02943     ?         ?            ?         ?            
1 1 1 -16 10 20 o 12 1.94044      0.515646    192.117   146.443      ?         ?            ?         ?            
1 1 1 -16 12 1  o 13 0.689092     0.381834    564.82    95.4919      ?         ?            ?         ?            
1 1 1 -16 12 2  o 7  7.63239      0.591693    661.727   51.434       423.78    51.434       88.3267   -128.566     
1 1 1 -16 12 3  o 12 21.3454      1.05986     1412.47   -21.0121     1088.28   -21.0121     97.0388   158.988      
1 1 1 -16 12 4  o 5  14.3719      0.770052    813.272   135.947      933.472   135.947      97.4068   135.947      
1 1 1 -16 12 5  o 11 3.58295      0.480295    749.043   -97.8872     65.0439   82.1128      372.583   82.1128      
1 1 1 -16 12 6  o 1  9.36802      0.711727    674.317   -114.845     711.664   -114.845     50.1175   -114.845     
1 1 1 -16 12 7  o 17 3.66826      0.364023    760.185   56.6944      47.1453   56.6944      320.274   -123.306     
1 1 1 -16 12 8  o 9  6.39658      0.551379    913.479   11.058       311.906   11.058       256.329   -168.942     
1 1 1 -16 12 9  o 4  12.2068      0.995242    1066.01   -41.8389     800.383   -41.8389     80.8867   138.161      
1 1 1 -16 12 10 o 17 0.954528     0.325985    341.18    62.4952      305.175   -117.505     307.162   -117.505     
1 1 1 -16 12 11 o 12 2.98288      0.461907    499.745   171.529      107.409   171.529      174.409   -8.47119     
1 1 1 -16 12 12 o 1  2.7205       0.638166    432.916   -82.878      188.398   -82.878      104.452   97.122       
1 1 1 -16 12 13 o 7  1.48985      0.422604    351.781   61.2725      14.8421   61.2725      152.597   -118.727     
1 1 1 -16 12 14 < 5  -0.722345    0.13429     87.4713   -175.66      ?         ?            ?         ?            
1 1 1 -16 12 15 o 19 0.739447     0.392988    377.157   -120.238     72.8292   59.7624      193.584   59.7624      
1 1 1 -16 12 16 o 18 0.78241      0.447949    381.722   -48.4279     9.87703   131.572      156.943   131.572      
1 1 1 -16 12 17 o 5  0.943074     0.4862      412.696   -131.723     ?         ?            ?         ?            
1 1 1 -16 12 18 o 15 1.0593       0.838872    54.5362   127.678      ?         ?            ?         ?            
1 1 1 -16 14 1  o 4  2.00885      0.427632    726.939   -137.556     100.584   42.444       381.686   42.444       
1 1 1 -16 14 2  o 10 0.59097      0.405493    582.557   23.2243      437.067   -156.776     484.243   -156.776     
1 1 1 -16 14 3  o 3  1.65002      0.380543    304.183   160.164      12.9811   -19.8356     145.408   -19.8356     
1 1 1 -16 14 4  o 15 2.84815      0.370429    323.916   -28.7636     131.283   -28.7636     82.5667   151.236      
1 1 1 -16 14 5  o 18 1.48914      0.332965    193.999   -87.5307     10.5345   -87.5307     83.6729   92.4693      
1 1 1 -16 14 6  o 15 1.41946      0.341256    384.944   163.796      39.3729   -16.2041     196.324   -16.2041     
1 1 1 -16 14 7  o 2  7.63558      0.606632    798.697   120.846      668.468   120.846      31.3737   -59.1544     
1 1 1 -16 14 8  o 4  -0.075833    0.208868    190.531   -163.402     ?         ?            ?         ?            
1 1 1 -16 14 9  o 10 0.520813     0.441076    242.966   151.514      118.818   -28.4855     167.501   -28.4855     
1 1 1 -16 14 10 o 7  1.23248      0.500965    147.725   -46.2477     31.8213   -46.2477     47.7858   133.752      
1 1 1 -16 14 11 o 9  0.699947     0.380706    399.626   30.3768      82.3582   -149.623     206.942   -149.623     
1 1 1 -16 14 12 o 19 0.852344     0.365725    403.314   39.6623      6.44609   -140.338     164.86    -140.338     
1 1 1 -16 14 13 o 18 0.631468     0.334937    244.844   -3.4685      13.2024   176.532      102.737   176.532      
1 1 1 -16 14 14 o 6  0.165088     0.344939    158.338   166.042      ?         ?            ?         ?            
1 1 1 -16 14 15 o 7  0.355064     0.472221    320.562   -77.5042     ?         ?            ?         ?            
1 1 1 -16 16 1  o 6  1.17629      0.511197    193.948   138.555      70.5798   138.555      43.4592   -41.4447     
1 1 1 -16 16 2  o 2  1.75788      0.485976    614.259   -132.128     97.8228   -132.128     200.003   47.8715      
1 1 1 -16 16 3  o 13 2.69284      0.430597    310.896   162.22       437.097   162.22       93.1733   162.22       
1 1 1 -16 16 4  o 16 1.67672      0.583946    379.269   -101.581     190.499   -101.581     56.6359   78.4194      
1 1 1 -16 16 5  o 16 0.884558     0.336155    325.314   66.8209      44.4074   66.8209      107.046   -113.179     
1 1 1 -16 16 6  o 17 -0.00501521  0.242397    377.414   -167.862     257.322   12.1379      277.464   12.1379      
1 1 1 -16 16 7  o 10 0.947746     0.304128    329.098   30.1721      84.4635   30.1721      86.5534   -149.828     
1 1 1 -16 16 8  o 10 0.544265     0.310368    64.1505   -149.319     4.45545   -149.319     22.6078   30.6814      
1 1 1 -16 16 9  o 11 0.271021     0.337965    217.536   -124.833     ?         ?            ?         ?            
1 1 1 -16 16 10 o 12 0.895237     0.486844    241.264   -118.943     ?         ?            ?         ?            
1 1 1 -15 1  1  o 14 41.683       1.67932     1745.07   151.065      ?         ?            ?         ?            
1 1 1 -15 1  2  o 15 2.35912      0.349249    916.164   155.255      ?         ?            ?         ?            
1 1 1 -15 1  3  o 6  143.377      4.95394     2697.79   -152.656     2632.54   -152.656     42.1493   -152.656     
1 1 1 -15 1  4  o 6  80.9644      2.45392     2210.16   84.0079      1508.18   84.0079      273.735   -95.9921     
1 1 1 -15 1  5  o 2  36.0874      1.29092     2338.25   53.8003      221.686   53.8003      953.291   -126.2       
1 1 1 -15 1  6  o 3  16.0954      1.06278     1168.35   -23.7802     500.134   156.22       769.156   156.22       
1 1 1 -15 1  7  o 17 7.55475      0.407409    1619.96   122.333      626.24    -57.6666     1017.94   -57.6666     
1 1 1 -15 1  8  o 13 42.4128      1.66176     1453.5    -53.9805     1670.49   -53.9805     211.69    -53.9805     
1 1 1 -15 1  9  o 14 33.4431      1.34715     1334.05   147.102      1520.52   147.102      192.735   147.102      
1 1 1 -15 1  10 o 13 12.3269      0.640422    1081.37   75.1381      472.823   75.1381      219.67    -104.862     
1 1 1 -15 1  11 o 6  18.1137      0.80371     1718.47   -46.671      5.94593   -46.671      711.132   133.329      
1 1 1 -15 1  12 o 19 11.3136      0.69117     559.067   -76.8838     751.138   -76.8838     147.919   -76.8838     
1 1 1 -15 1  13 o 4  33.8347      1.4889      1922.62   85.5941      1410.62   85.5941      65.8346   -94.4059     
1 1 1 -15 1  14 o 7  8.92338      0.566282    653.069   7.8572       355.91    7.8572       85.3205   -172.143     
1 1 1 -15 1  15 o 13 7.40381      0.596989    572.282   -102.436     106.607   77.5636      291.43    77.5636      
1 1 1 -15 1  16 o 3  7.30741      0.541406    425.461   64.942       191.69    64.942       89.4706   -115.058     
1 1 1 -15 1  17 o 19 16.5324      0.924495    1154.45   142.677      934.401   142.677      53.1009   -37.3228     
1 1 1 -15 1  18 o 11 11.4531      0.617192    380.262   -148.682     803.09    -148.682     228.944   -148.682     
1 1 1 -15 1  19 o 9  35.7449      1.55429     1120.06   5.20784      1920.55   5.20784      454.906   5.20784      
1 1 1 -15 1  20 o 15 14.017       0.718855    1089.31   127.913      921.718   127.913      34.189    -52.0867     
1 1 1 -15 1  21 o 14 0.37944      0.263708    383.504   151.526      ?         ?            ?         ?            
1 1 1 -15 1  22 o 14 1.98624      0.362265    459.026   -154.846     81.1768   25.1538      242.451   25.1538      
1 1 1 -15 1  23 o 10 8.2405       0.834115    456.89    -104.816     1079.43   -104.816     354.684   -104.816     
1 1 1 -15 1  24 o 9  2.56576      0.402781    95.6285   121.456      ?         ?            ?         ?            
1 1 1 -15 3  1  o 17 113.622      3.85768     2794.69   82.3114      2704.93   82.3114      72.5289   82.3114      
1 1 1 -15 3  2  o 10 60.9726      2.07935     2159.8    69.6819      1810.15   69.6819      80.1657   -110.318     
1 1 1 -15 3  3  o 15 83.6014      2.41996     2858.44   -110.11      505.293   69.8904      1544.38   69.8904      
1 1 1 -15 3  4  o 15 19.5838      0.855046    1079.09   -8.18873     403.042   -8.18873     279.518   171.811      
1 1 1 -15 3  5  o 12 75.8956      2.37227     2184.48   176.919      2298.94   176.919      190.565   176.919      
1 1 1 -15 3  6  o 8  67.9218      2.20516     1570.09   34.0599      2611.97   34.0599      626.368   34.0599      
1 1 1 -15 3  7  o 2  22.2876      1.01816     1385.46   -69.9134     13.1895   110.087      600.156   110.087      
1 1 1 -15 3  8  o 12 30.5505      1.24839     1486.76   106.148      1435.6    106.148      85.2883   106.148      
1 1 1 -15 3  9  o 12 17.1024      0.969289    2016.35   175.291      350.104   175.291      676.404   -4.7089      
1 1 1 -15 3  10 o 7  5.36941      0.433288    744.593   32.8135      77.9305   -147.187     349.497   -147.187     
1 1 1 -15 3  11 o 11 8.57855      0.559714    1058.17   90.2381      418.114   90.2381      224.279   -89.7619     
1 1 1 -15 3  12 f 0  1.78595      0.213956    1198.92   168.859      567.835   -11.1407     766.493   -11.1407     
1 1 1 -15 3  13 o 3  6.11454      0.42844     615.331   -166.733     259.487   -166.733     117.048   13.267       
1 1 1 -15 3  14 o 11 54.9426      1.72516     2246.54   72.7485      2003.5    72.7485      82.3575   72.7485      
1 1 1 -15 3  15 o 12 38.3225      1.4601      1489.94   -100.555     1785.41   -100.555     257.69    -100.555     
1 1 1 -15 3  16 o 5  69.2027      2.59536     1925.24   -125.952     2538.6    -125.952     413.878   -125.952     
1 1 1 -15 3  17 o 1  3.14255      0.394191    106.515   -161.034     ?         ?            ?         ?            
1 1 1 -15 3  18 o 9  13.7337      0.664335    1173      -8.87633     423.285   -8.87633     319.295   171.124      
1 1 1 -15 3  19 o 13 8.37012      0.552091    693.95    104.329      704.44    104.329      38.9042   104.329      
1 1 1 -15 3  20 f 0  14.0402      0.648259    768.833   -92.6812     1143.33   -92.6812     220.151   -92.6812     
1 1 1 -15 3  21 o 9  2.88137      0.739374    175.93    104.949      173.713   104.949      6.77776   104.949      
1 1 1 -15 3  22 o 4  0.844997     0.32819     232.47    93.8962      49.7831   -86.1038     124.135   -86.1038     
1 1 1 -15 3  23 o 13 13.4435      0.799221    710.824   -171.755     ?         ?            ?         ?            
1 1 1 -15 3  24 f 0  2.83847      0.405843    239.679   -28.0091     ?         ?            ?         ?            
1 1 1 -15 5  1  o 19 58.0731      2.50665     595.821   155.577      1330.78   155.577      408.529   155.577      
1 1 1 -15 5  2  f 0  83.8688      3.05628     2092.83   101.943      2845.15   101.943      521.529   101.943      
1 1 1 -15 5  3  o 3  28.493       1.07297     1156.65   -67.0384     1263.21   -67.0384     135.036   -67.0384     
1 1 1 -15 5  4  o 15 0.288598     0.119093    873.79    -65.6578     ?         ?            ?         ?            
1 1 1 -15 5  5  o 10 3.87684      0.322006    1234.41   -76.6149     738.041   103.385      895.016   103.385      
1 1 1 -15 5  6  o 6  47.0819      2.05008     1554.05   -35.0349     2054.73   -35.0349     367.952   -35.0349     
1 1 1 -15 5  7  o 9  5.25705      0.370678    544.277   131.644      3.09338   -48.3563     231.133   -48.3563     
1 1 1 -15 5  8  o 5  8.56122      0.509838    909.917   101.292      172.5     101.292      293.919   -78.7082     
1 1 1 -15 5  9  o 19 79.4852      2.70782     2008.26   -161.687     3059.01   -161.687     702.178   -161.687     
1 1 1 -15 5  10 o 8  19.2269      0.97973     1482.83   -16.1067     784.891   -16.1067     208.678   163.893      
1 1 1 -15 5  11 o 19 9.96184      0.606562    1632.65   -146.094     421.944   33.9059      865.603   33.9059      
1 1 1 -15 5  12 o 18 1.01767      0.27797     487.816   -113.863     358.762   66.1374      375.671   66.1374      
1 1 1 -15 5  13 o 11 43.608       1.77657     1355.82   134.726      2237.29   134.726      559.998   134.726      
1 1 1 -15 5  14 o 18 38.549       1.60702     1148.53   115.544      1973.7    115.544      494.826   115.544      
1 1 1 -15 5  15 o 15 8.06972      0.698905    1009.98   -2.05394     193.061   -2.05394     352.83    177.946      
1 1 1 -15 5  16 o 10 38.4163      1.43035     1381.5    -168.1       1857.46   -168.1       302.125   -168.1       
1 1 1 -15 5  17 o 15 26.8422      1.53286     1094.28   162.23       1662.61   162.23       335.707   162.23       
1 1 1 -15 5  18 o 13 18.2937      0.981564    1068.83   -11.771      1257.24   -11.771      146.325   -11.771      
1 1 1 -15 5  19 o 11 2.53798      0.451943    212.093   169.497      91.7474   169.497      50.8461   -10.5032     
1 1 1 -15 5  20 o 11 2.05319      0.547497    333.735   -33.1413     81.6755   -33.1413     111.893   146.859      
1 1 1 -15 5  21 o 16 6.33597      0.487019    306.069   -52.3141     768.629   -52.3141     250.833   -52.3141     
1 1 1 -15 5  22 o 17 5.32575      0.468449    644.661   -45.2432     625.165   -45.2432     52.4826   -45.2432     
1 1 1 -15 5  23 o 5  3.34993      0.557438    407.282   92.1562      ?         ?            ?         ?            
1 1 1 -15 7  1  o 2  8.56974      0.72255     1579.9    -51.3844     11.0375   128.616      668.569   128.616      
1 1 1 -15 7  2  o 14 1.35582      0.198726    361.318   35.2401      212.826   -144.76      257.896   -144.76      
1 1 1 -15 7  3  o 13 8.75605      0.6845      1481.69   -35.5232     161.264   -35.5232     538.924   144.477      
1 1 1 -15 7  4  o 2  28.6183      1.2135      1492.12   -0.960201    1492.72   -0.960201    125.292   -0.960201    
1 1 1 -15 7  5  o 9  32.3036      1.43402     1420.12   -146.298     1776.94   -146.298     301.401   -146.298     
1 1 1 -15 7  6  o 2  16.376       0.832428    1248.63   94.4046      708.647   94.4046      157.191   -85.5954     
1 1 1 -15 7  7  o 2  29.153       1.23991     1914.18   131.024      1271.81   131.024      140.226   -48.9762     
1 1 1 -15 7  8  o 9  8.71375      0.595464    986.186   -26.8586     539.794   -26.8586     126.431   153.141      
1 1 1 -15 7  9  o 13 9.65         0.574656    556.563   148.201      675.486   148.201      114.747   148.201      
1 1 1 -15 7  10 o 2  13.5061      0.786511    1196.13   9.74082      772.575   9.74082      96.7499   -170.259     
1 1 1 -15 7  11 o 19 14.0599      0.962285    1163      35.5938      745.22    35.5938      107.345   -144.406     
1 1 1 -15 7  12 o 14 45.1946      1.8717      1748.69   4.2883       2016.16   4.2883       262.342   4.2883       
1 1 1 -15 7  13 o 12 4.79639      0.680208    539.182   167.91       247.214   -12.0898     361.578   -12.0898     
1 1 1 -15 7  14 o 17 26.8591      1.24826     1241.55   -111.09      1338.86   -111.09      108.652   -111.09      
1 1 1 -15 7  15 o 14 26.8102      1.03775     1154.48   69.5259      1563.42   69.5259      257.559   69.5259      
1 1 1 -15 7  16 o 11 0.108565     0.28926     336.409   -82.5731     ?         ?            ?         ?            
1 1 1 -15 7  17 o 13 0.547933     0.309297    193.328   -40.1213     128.625   139.879      151.743   139.879      
1 1 1 -15 7  18 o 16 1.27788      0.35269     215.039   -128.037     111.577   51.9629      154.228   51.9629      
1 1 1 -15 7  19 o 5  3.92195      0.564966    712.683   135.427      247.669   135.427      200.623   -44.5734     
1 1 1 -15 7  20 f 0  8.51605      0.58081     487.41    -14.3378     962.879   -14.3378     271.564   -14.3378     
1 1 1 -15 7  21 o 15 8.06259      0.579556    636.399   96.0714      959.493   96.0714      224.544   96.0714      
1 1 1 -15 7  22 o 10 2.66629      0.401298    396.32    -135.099     ?         ?            ?         ?            
1 1 1 -15 9  1  o 3  31.2548      1.27961     2549.9    -135.264     853.064   -135.264     595.217   44.7358      
1 1 1 -15 9  2  o 13 4.64275      0.428431    982.608   -8.77223     55.5067   -8.77223     365.923   171.228      
1 1 1 -15 9  3  f 0  4.37844      0.456513    245.337   178.972      74.9476   178.972      60.8162   -1.02761     
1 1 1 -15 9  4  o 8  8.3982       0.644098    882.547   -143.62      471.756   -143.62      118.017   36.3802      
1 1 1 -15 9  5  o 1  7.15691      0.470775    1006.21   -1.24546     173.071   -1.24546     318.222   178.755      
1 1 1 -15 9  6  o 12 19.4025      0.928213    1572.28   161.13       870.485   161.13       201.735   -18.8698     
1 1 1 -15 9  7  o 16 15.9229      0.893473    1344.94   -179.74      508.538   -179.74      297.584   0.260347     
1 1 1 -15 9  8  o 11 4.40328      0.797346    845.315   -43.8544     ?         ?            ?         ?            
1 1 1 -15 9  9  o 17 1.44712      0.359624    1039.56   99.5141      722.319   -80.4859     806.657   -80.4859     
1 1 1 -15 9  10 o 10 14.5741      0.728297    1114.92   160.332      814.746   160.332      82.8444   -19.6676     
1 1 1 -15 9  11 o 9  7.14753      0.543071    1033.73   12.4463      75.4737   -167.554     501.858   -167.554     
1 1 1 -15 9  12 o 10 4.85845      0.551804    502.874   -46.7117     49.817    -46.7117     203.261   133.288      
1 1 1 -15 9  13 o 3  4.20026      0.430036    547.81    124.474      60.86     124.474      217.986   -55.5263     
1 1 1 -15 9  14 o 10 7.59197      0.668029    596.913   125.408      432.275   125.408      53.2792   -54.5924     
1 1 1 -15 9  15 o 12 3.63718      0.582458    628.667   25.8485      95.4489   25.8485      236.619   -154.152     
1 1 1 -15 9  16 o 9  0.798365     0.417404    295.966   170.377      186.7     -9.62252     228.677   -9.62252     
1 1 1 -15 9  17 o 17 0.294761     0.276202    225.402   89.9451      ?         ?            ?         ?            
1 1 1 -15 9  18 o 16 4.80091      0.447411    568.37    -170.584     531.576   -170.584     15.6186   -170.584     
1 1 1 -15 9  19 o 16 0.681014     0.290958    208.338   -137.332     60.1943   42.6677      115.675   42.6677      
1 1 1 -15 9  20 o 14 0.524769     0.278861    285.778   75.3053      ?         ?            ?         ?            
1 1 1 -15 9  21 o 5  0.44945      0.352375    334.736   -144.026     ?         ?            ?         ?            
1 1 1 -15 11 1  o 11 21.2472      0.656372    1337.23   -146.393     1126.34   -146.393     18.3104   33.6069      
1 1 1 -15 11 2  f 0  40.0939      1.60018     830.256   93.3918      2370.06   93.3918      823.272   93.3918      
1 1 1 -15 11 3  f 0  0.690246     0.272188    1227.2    156.185      ?         ?            ?         ?            
1 1 1 -15 11 4  o 12 24.9904      1.25452     1862.36   -33.8828     969.337   -33.8828     336.586   146.117      
1 1 1 -15 11 5  o 3  9.45437      0.610548    525.143   -57.2023     517.321   -57.2023     25.0539   -57.2023     
1 1 1 -15 11 6  o 19 10.7305      0.733137    1135.47   -174.204     509.064   -174.204     255.108   5.7965       
1 1 1 -15 11 7  o 8  1.57074      0.328795    548.411   -130.549     472.356   49.4506      484.143   49.4506      
1 1 1 -15 11 8  o 9  3.84201      0.453516    713.355   -10.9816     181.578   169.018      414.62    169.018      
1 1 1 -15 11 9  o 9  1.12889      0.278328    343.861   73.5978      216.677   -106.402     264.394   -106.402     
1 1 1 -15 11 10 f 0  0.300291     0.254005    846.692   -104.441     763.867   75.5593      764.918   75.5593      
1 1 1 -15 11 11 o 9  1.91378      0.368964    429.059   -6.90101     94.526    173.099      240.829   173.099      
1 1 1 -15 11 12 o 18 1.48504      0.617082    548.235   89.0639      249.191   -90.9361     372.586   -90.9361     
1 1 1 -15 11 13 o 1  1.78227      0.712963    645.391   -123.951     124.969   56.0493      356.958   56.0493      
1 1 1 -15 11 14 o 18 6.98348      0.749646    612.975   -32.6448     715.511   -32.6448     76.4976   -32.6448     
1 1 1 -15 11 15 o 1  5.41284      0.547572    819.889   93.9696      388.169   93.9696      176.256   -86.0304     
1 1 1 -15 11 16 o 4  0.748468     0.388664    183.799   -81.0279     34.9257   98.9721      96.5736   98.9721      
1 1 1 -15 11 17 o 4  0.595658     0.325805    261.845   -131.298     57.8469   48.7018      135.087   48.7018      
1 1 1 -15 11 18 o 8  0.77525      0.401285    187.664   -56.0382     ?         ?            ?         ?            
1 1 1 -15 11 19 o 4  0.7623       0.334552    302.961   168.473      ?         ?            ?         ?            
1 1 1 -15 13 1  o 19 1.0106       0.37453     630.407   71.7209      359.757   -108.279     464.633   -108.279     
1 1 1 -15 13 2  o 11 1.14215      0.292622    590.027   -179.542     346.692   0.457678     439.803   0.457678     
1 1 1 -15 13 3  o 4  3.80576      0.396825    852.27    104.648      52.5031   104.648      358.457   -75.3523     
1 1 1 -15 13 4  o 2  4.47407      0.505255    849.201   -29.3684     142.715   -29.3684     311.783   150.632      
1 1 1 -15 13 5  o 6  0.224116     0.246718    235.181   -140.198     ?         ?            ?         ?            
1 1 1 -15 13 6  o 8  0.819545     0.301422    249.723   -81.0722     184.638   98.9278      205.11    98.9278      
1 1 1 -15 13 7  o 10 1.83557      0.471352    405.453   -86.9721     155.708   93.0279      261.534   93.0279      
1 1 1 -15 13 8  o 13 1.27542      0.312061    411.885   -153.028     151.704   26.9716      263.399   26.9716      
1 1 1 -15 13 9  o 1  5.78012      0.531277    858.617   48.1789      401.492   48.1789      192.44    -131.821     
1 1 1 -15 13 10 o 8  3.42043      0.465524    726.912   0.325142     120.516   0.325142     273.2     -179.675     
1 1 1 -15 13 11 o 12 1.54384      0.623357    421.262   -53.6555     20.868    -53.6555     180.949   126.345      
1 1 1 -15 13 12 o 5  0.908669     0.366131    248.635   -146.415     69.4837   33.585       144.551   33.585       
1 1 1 -15 13 13 o 16 5.22827      0.57711     482.897   167.973      714.302   167.973      153.349   167.973      
1 1 1 -15 13 14 o 9  0.385502     0.401635    186.207   16.86        67.5325   -163.14      108.852   -163.14      
1 1 1 -15 13 15 o 12 1.41569      0.452388    79.7506   72.2204      98.1744   72.2204      17.7638   72.2204      
1 1 1 -15 13 16 o 18 0.00907042   0.57006     104.02    65.8029      ?         ?            ?         ?            
1 1 1 -15 15 1  o 18 1.19236      0.354538    565.263   -32.6936     265.765   147.306      388.862   147.306      
1 1 1 -15 15 2  o 19 0.90021      0.394809    383.111   124.327      122.128   -55.673      234.303   -55.673      
1 1 1 -15 15 3  o 12 0.588217     0.428207    406.328   -103.494     218.196   76.506       292.118   76.506       
1 1 1 -15 15 4  o 8  -0.403875    0.177349    246.035   170.826      ?         ?            ?         ?            
1 1 1 -15 15 5  o 8  1.26672      0.398605    476.785   -115.266     29.732    64.7341      225.628   64.7341      
1 1 1 -15 15 6  o 13 1.96993      0.384287    490.445   84.7795      162.84    84.7795      131.706   -95.2205     
1 1 1 -15 15 7  o 13 1.45579      0.413001    78.9424   23.9442      57.2849   23.9442      4.88927   -156.056     
1 1 1 -15 15 8  o 16 0.656491     0.404416    265.262   -56.6642     46.584    123.336      133.004   123.336      
1 1 1 -15 15 9  o 18 2.68753      0.545891    419.261   -28.2866     406.581   -28.2866     34.2828   -28.2866     
1 1 1 -15 15 10 o 15 2.35382      0.523392    524.682   -108.002     307.998   -108.002     53.5205   71.9978      
1 1 1 -15 15 11 o 12 0.574394     0.410936    210.765   -52.8711     17.8637   127.129      91.1837   127.129      
1 1 1 -15 15 12 o 15 1.01674      0.501442    36.0246   -13.5289     ?         ?            ?         ?            
1 1 1 -15 15 13 o 14 0.472298     0.387412    428.189   117.717      ?         ?            ?         ?            
1 1 1 -15 17 1  o 19 1.51743      0.417347    105.777   -117.865     202.028   -117.865     60.5189   -117.865     
1 1 1 -15 17 2  o 2  0.282078     0.35255     16.7032   -80.1363     3.22475   99.8637      7.9948    99.8637      
1 1 1 -15 17 3  o 15 0.348176     0.368173    490.073   -60.1805     151.005   119.82       261.864   119.82       
1 1 1 -15 17 4  o 4  0.498102     0.336678    402.53    56.0916      45.7415   -123.908     174.796   -123.908     
1 1 1 -15 17 5  o 15 0.296152     0.278022    283.071   129.839      ?         ?            ?         ?            
1 1 1 -15 17 6  o 17 0.384205     0.315644    128.939   24.7531      ?         ?            ?         ?            
1 1 1 -14 0  1  o 6  110.791      4.64115     2375.32   180          2222.66   180          32.5201   4.86591e-13  
1 1 1 -14 0  2  o 2  156.946      4.9488      2566.37   180          4516.29   180          1024.71   180          
1 1 1 -14 0  3  f 0  29.8732      1.27746     397.676   180          499.491   180          59.861    180          
1 1 1 -14 0  4  o 15 124.832      5.60168     2168.76   180          4018.15   180          987.851   180          
1 1 1 -14 0  5  o 14 59.4773      3.69952     2430.72   0            1101.23   0            569.132   180          
1 1 1 -14 0  6  o 16 42.6869      6.67612     1432.72   180          ?         ?            ?         ?            
1 1 1 -14 0  7  o 5  197.276      9.38501     3744.7    180          3985.73   180          353.377   180          
1 1 1 -14 0  8  f 0  56.4384      2.88075     2371.42   0            2125.94   0            42.4327   0            
1 1 1 -14 0  9  o 4  0.57538      0.193308    267.719   180          ?         ?            ?         ?            
1 1 1 -14 0  10 o 16 11.4932      1.26423     1022.01   180          533.799   180          165.048   2.97102e-14  
1 1 1 -14 0  11 o 5  0.672194     0.240117    55.5244   180          ?         ?            ?         ?            
1 1 1 -14 0  12 o 7  35.8725      2.1621      1012.2    180          2440.68   180          806.873   180          
1 1 1 -14 0  13 f 0  31.471       1.30557     1083.57   0            2243.27   0            686.509   0            
1 1 1 -14 0  14 f 0  0.636832     0.253552    373.801   0            ?         ?            ?         ?            
1 1 1 -14 0  15 o 13 11.4933      0.943198    457.939   0            662.638   0            141.638   0            
1 1 1 -14 0  16 o 6  4.96068      0.579996    658.706   180          111.017   180          230.128   1.04017e-14  
1 1 1 -14 0  17 o 15 7.32489      0.637598    1530.69   0            52.4174   0            662.286   180          
1 1 1 -14 0  18 o 8  2.27226      0.94231     493.352   180          209.433   7.99256e-15  328.714   2.54615e-15  
1 1 1 -14 0  19 f 0  68.9934      3.09608     1552.23   180          2551.43   180          575.203   180          
1 1 1 -14 0  20 o 12 6.38011      0.629837    279.456   0            592.206   0            169.229   0            
1 1 1 -14 0  21 o 17 5.30697      0.666105    282.637   180          591.397   180          166.033   180          
1 1 1 -14 0  22 o 15 6.26984      0.753738    209.724   0            770.621   0            292.702   0            
1 1 1 -14 0  23 o 15 5.755        0.801778    370.027   0            971.582   0            335.411   0            
1 1 1 -14 0  24 o 1  13.7166      2.69083     706.954   0            ?         ?            ?         ?            
1 1 1 -14 2  1  o 5  98.0217      3.12274     2520.42   -128.962     1913.52   -128.962     239.029   51.0384      
1 1 1 -14 2  2  o 7  35.9085      1.6193      1576.1    -125.678     1001.69   54.322       1245.69   54.322       
1 1 1 -14 2  3  o 2  84.4054      2.89507     1629.94   61.669       2693.24   61.669       583.858   61.669       
1 1 1 -14 2  4  o 8  161.018      3.84491     3159.76   -141.509     3804.79   -141.509     447.513   -141.509     
1 1 1 -14 2  5  o 14 22.8469      0.903118    911.901   127.239      362.231   127.239      229.968   -52.7614     
1 1 1 -14 2  6  o 18 8.72227      0.641758    830.922   149.517      482.846   -30.4829     607.807   -30.4829     
1 1 1 -14 2  7  o 7  57.0702      1.95525     1269.27   -152.892     2247.76   -152.892     574.314   -152.892     
1 1 1 -14 2  8  o 19 3.3008       0.344207    727.161   -41.9665     ?         ?            ?         ?            
1 1 1 -14 2  9  o 17 46.1667      1.60908     1792.24   -62.5074     1925.72   -62.5074     201.731   -62.5074     
1 1 1 -14 2  10 o 8  7.75583      0.536365    445.844   -158.792     106.091   21.2078      240.606   21.2078      
1 1 1 -14 2  11 o 3  16.1437      0.681231    728.405   -172.662     1029.03   -172.662     212.986   -172.662     
1 1 1 -14 2  12 o 19 15.4871      0.663832    1071.83   -46.0578     1001.02   -46.0578     65.6697   -46.0578     
1 1 1 -14 2  13 o 7  3.81         0.344284    670.654   154.436      0.07918   -25.5637     268.778   -25.5637     
1 1 1 -14 2  14 o 18 30.6365      1.90159     1632.77   128.801      1554.31   128.801      116.605   128.801      
1 1 1 -14 2  15 o 14 25.5056      1.1271      862.089   -54.0343     1499.14   -54.0343     388.362   -54.0343     
1 1 1 -14 2  16 o 14 36.7093      1.7787      750.479   -53.278      2153.3    -53.278      747.607   -53.278      
1 1 1 -14 2  17 o 10 12.9252      0.770636    977.499   -177.047     610.123   -177.047     136.702   2.95327      
1 1 1 -14 2  18 o 17 10.5417      0.570754    411.944   -125.51      82.0646   -125.51      145.814   54.4898      
1 1 1 -14 2  19 o 4  7.22176      0.534537    440.519   -19.6503     290.471   160.35       343.965   160.35       
1 1 1 -14 2  20 o 3  4.09147      0.488822    531.814   116.778      332.708   116.778      75.83     -63.2216     
1 1 1 -14 2  21 o 15 0.768026     0.300372    545.167   36.5334      ?         ?            ?         ?            
1 1 1 -14 2  22 o 16 6.16838      0.690859    364.815   125.488      835.855   125.488      259.06    125.488      
1 1 1 -14 2  23 o 17 3.10463      0.524075    526.07    107.497      369.466   107.497      26.6758   -72.5029     
1 1 1 -14 2  24 o 17 2.60713      0.40673     274.773   -164.176     ?         ?            ?         ?            
1 1 1 -14 4  1  o 4  89.9928      3.07907     2486.42   -164.079     2613.93   -164.079     199.982   -164.079     
1 1 1 -14 4  2  o 15 20.6263      1.24236     2064.52   -104.754     43.9881   75.2455      938.052   75.2455      
1 1 1 -14 4  3  o 19 73.9479      2.34388     2822.72   -28.1542     1970.54   -28.1542     258.151   151.846      
1 1 1 -14 4  4  f 0  105.923      3.20111     1712.1    -107.488     3552      -107.488     1029.05   -107.488     
1 1 1 -14 4  5  o 3  12.8067      0.636312    1047.04   -91.1161     497.24    88.8839      700.937   88.8839      
1 1 1 -14 4  6  o 2  49.5183      1.57733     1382.93   170.24       2032.64   170.24       423.784   170.24       
1 1 1 -14 4  7  o 9  49.9194      1.76659     2118.69   38.6982      1714.21   38.6982      45.0774   -141.302     
1 1 1 -14 4  8  o 13 23.9842      1.54821     741.576   -5.58447     1261.83   -5.58447     317.097   -5.58447     
1 1 1 -14 4  9  o 17 8.16657      0.493716    693.161   -47.0752     105.092   -47.0752     237.912   132.925      
1 1 1 -14 4  10 o 15 147.538      4.89432     2715.84   -133.529     4398.64   -133.529     1078.79   -133.529     
1 1 1 -14 4  11 o 14 3.16382      0.282457    739.757   66.2853      ?         ?            ?         ?            
1 1 1 -14 4  12 o 11 22.2812      1.02289     909.667   103.124      1224.7    103.124      247.81    103.124      
1 1 1 -14 4  13 o 16 6.10455      0.397998    689.419   -45.6887     72.1323   -45.6887     242.258   134.311      
1 1 1 -14 4  14 o 9  3.73721      0.531272    927.188   100.18       240.41    -79.8198     506.013   -79.8198     
1 1 1 -14 4  15 o 7  1.74078      0.285296    388.07    19.4253      275.99    -160.575     306.556   -160.575     
1 1 1 -14 4  16 o 19 13.0824      0.728225    385.647   114.701      654.544   114.701      153.926   114.701      
1 1 1 -14 4  17 o 6  6.14874      0.499487    461.08    -89.7642     253.682   -89.7642     82.5417   90.2358      
1 1 1 -14 4  18 o 1  5.29841      0.511797    415.712   151.293      338.377   151.293      18.533    -28.7072     
1 1 1 -14 4  19 o 1  5.4773       0.436293    489.772   -23.6492     355.174   -23.6492     44.2273   156.351      
1 1 1 -14 4  20 o 10 5.11453      0.58306     854.883   135.849      151.416   135.849      316.437   -44.1507     
1 1 1 -14 4  21 f 0  4.74237      0.483942    600.984   -42.3521     496.651   -42.3521     21.508    137.648      
1 1 1 -14 4  22 o 4  0.61663      0.348674    342.804   -11.891      ?         ?            ?         ?            
1 1 1 -14 4  23 o 3  3.70386      0.423324    352.019   -103.469     ?         ?            ?         ?            
1 1 1 -14 4  24 o 13 1.67828      0.362313    497.114   -86.0427     ?         ?            ?         ?            
1 1 1 -14 6  1  o 10 47.7979      2.18628     1724.6    171.67       1748.95   171.67       139.884   171.67       
1 1 1 -14 6  2  o 11 10.6346      0.852771    585.551   67.5484      200.307   67.5484      149.093   -112.452     
1 1 1 -14 6  3  o 2  52.678       1.72982     1763.65   128.402      2206.41   128.402      353.648   128.402      
1 1 1 -14 6  4  o 6  3.67428      0.355025    576.846   -93.8274     416.246   86.1726      452.673   86.1726      
1 1 1 -14 6  5  o 3  15.052       0.709749    1120.69   30.9487      739.934   30.9487      103.31    -149.051     
1 1 1 -14 6  6  o 3  3.93822      0.38834     293.244   63.6226      ?         ?            ?         ?            
1 1 1 -14 6  7  o 19 15.0141      0.901216    1014.65   -22.7883     990.699   -22.7883     73.4744   -22.7883     
1 1 1 -14 6  8  o 1  52.6533      1.83548     1981.65   76.1662      2274.13   76.1662      323.638   76.1662      
1 1 1 -14 6  9  o 19 36.3907      1.33053     1993.32   -4.48506     1507.94   -4.48506     52.9221   175.515      
1 1 1 -14 6  10 o 19 2.41951      0.312808    447.844   -110.089     245.348   69.9111      302.246   69.9111      
1 1 1 -14 6  11 o 11 9.94112      0.518195    1772      -16.0554     31.5892   163.945      728.037   163.945      
1 1 1 -14 6  12 o 3  5.47488      1.03278     600.367   -47.3037     150.697   -47.3037     170.771   132.696      
1 1 1 -14 6  13 o 7  16.5386      0.938073    992.563   48.7593      933.993   48.7593      45.6664   48.7593      
1 1 1 -14 6  14 o 11 26.8076      1.26795     816.933   2.31468      1581.96   2.31468      430.784   2.31468      
1 1 1 -14 6  15 o 13 3.11137      0.372454    642.265   135.194      382.414   -44.8056     481.501   -44.8056     
1 1 1 -14 6  16 f 0  12.5153      0.741511    1150.87   44.4252      670.216   44.4252      187.196   -135.575     
1 1 1 -14 6  17 o 14 14.5514      0.888203    1046.13   -51.4547     989.48    -51.4547     22.6243   -51.4547     
1 1 1 -14 6  18 o 2  1.93654      0.588958    497.374   142.321      404.079   -37.6793     427.508   -37.6793     
1 1 1 -14 6  19 o 9  2.49138      0.350778    163.496   -63.4716     106.262   -63.4716     21.8737   116.528      
1 1 1 -14 6  20 o 11 4.04123      0.44941     838.627   140.614      231.246   140.614      261.515   -39.3856     
1 1 1 -14 6  21 o 8  2.42191      0.352548    160.401   -59.2987     264.633   -59.2987     65.1772   -59.2987     
1 1 1 -14 6  22 o 18 1.7646       0.416192    377.193   18.7392      ?         ?            ?         ?            
1 1 1 -14 6  23 o 11 2.54621      0.388932    370.807   -85.6333     ?         ?            ?         ?            
1 1 1 -14 8  1  o 10 4.5249       0.434318    1382.8    69.6536      261.556   -110.346     697.75    -110.346     
1 1 1 -14 8  2  o 14 12.1182      0.6215      1466.83   177.225      536.654   177.225      332.243   -2.77493     
1 1 1 -14 8  3  o 19 18.7856      1.08926     986.884   -98.6787     1275.75   -98.6787     235.14    -98.6787     
1 1 1 -14 8  4  o 2  10.1086      0.652416    1016.45   170.849      352.67    170.849      236.432   -9.15139     
1 1 1 -14 8  5  o 3  12.1488      0.639667    1078.68   -52.725      758.51    -52.725      56.2221   127.275      
1 1 1 -14 8  6  o 13 7.65381      0.474417    1105.59   110.561      331.913   110.561      278.007   -69.4385     
1 1 1 -14 8  7  o 13 11.1884      0.957191    243.164   77.7949      478.923   77.7949      142.046   77.7949      
1 1 1 -14 8  8  o 17 51.1955      1.88937     2635.72   150.375      1665.69   150.375      227.194   -29.6253     
1 1 1 -14 8  9  o 17 7.49692      0.5863      603.383   -45.5846     357.276   -45.5846     67.2698   134.415      
1 1 1 -14 8  10 o 15 3.19704      0.573164    881.807   103.447      493.56    -76.5529     614.74    -76.5529     
1 1 1 -14 8  11 o 11 23.6195      1.04141     1159.71   -179.179     1337.8    -179.179     169.872   -179.179     
1 1 1 -14 8  12 o 14 22.5837      1.10517     1573.35   -179.838     1000.86   -179.838     197.178   0.161919     
1 1 1 -14 8  13 o 13 17.7861      0.873739    814.574   155.645      1183.49   155.645      223.465   155.645      
1 1 1 -14 8  14 o 8  28.4359      1.34888     1162.75   43.3251      1675.54   43.3251      309.867   43.3251      
1 1 1 -14 8  15 o 6  5.60925      0.527809    757.22    -43.2836     267.722   -43.2836     208.218   136.716      
1 1 1 -14 8  16 o 6  2.86247      0.530753    376.825   79.726       14.6939   -100.274     177.608   -100.274     
1 1 1 -14 8  17 o 8  15.3458      0.820508    890.258   -93.4932     1219.19   -93.4932     202.845   -93.4932     
1 1 1 -14 8  18 o 17 7.22268      0.555591    358.794   -64.0903     834.21    -64.0903     252.979   -64.0903     
1 1 1 -14 8  19 o 17 5.04483      0.504293    252.268   -135.744     658.262   -135.744     218.513   -135.744     
1 1 1 -14 8  20 o 10 0.0441968    0.256208    216.523   -54.6388     145.628   125.361      161.105   125.361      
1 1 1 -14 8  21 o 3  1.90224      0.350513    99.4195   34.7549      ?         ?            ?         ?            
1 1 1 -14 8  22 o 12 0.225057     0.36778     265.061   -101.352     ?         ?            ?         ?            
1 1 1 -14 10 1  o 17 15.8381      0.940322    1059.72   73.9783      854.799   73.9783      4.96976   -106.022     
1 1 1 -14 10 2  o 16 14.3511      1.02664     1478.16   115.185      396.496   115.185      405.901   -64.815      
1 1 1 -14 10 3  o 5  8.34274      0.622957    478.408   -113.19      303.05    -113.19      44.8605   66.8097      
1 1 1 -14 10 4  o 14 8.18467      0.542649    805.693   169.38       205.781   169.38       230.321   -10.6198     
1 1 1 -14 10 5  o 7  11.9182      0.985804    1391.13   179.789      399.301   179.789      382.113   -0.210875    
1 1 1 -14 10 6  o 7  15.8947      0.795628    1587.81   -6.86353     639.108   -6.86353     354.466   173.136      
1 1 1 -14 10 7  o 10 3.26196      0.429283    860.135   35.2425      380.458   -144.757     562.023   -144.757     
1 1 1 -14 10 8  o 7  17.7705      1.45763     1198.65   -171.9       989.71    -171.9       33.3046   8.10041      
1 1 1 -14 10 9  o 5  5.59242      0.514579    1200.52   -92.9312     161.626   87.0688      618.799   87.0688      
1 1 1 -14 10 10 o 13 1.84469      0.477443    530.425   -58.6107     229.273   121.389      354.895   121.389      
1 1 1 -14 10 11 o 13 1.31046      0.319563    382.131   162.962      ?         ?            ?         ?            
1 1 1 -14 10 12 o 15 8.57549      0.606601    315.268   -159.78      542.958   -159.78      128.846   -159.78      
1 1 1 -14 10 13 o 17 1.63502      0.4853      255.949   -155.292     77.6287   24.7077      154.28    24.7077      
1 1 1 -14 10 14 o 2  5.35869      1.01616     549.036   -109.089     448.303   -109.089     24.7774   70.911       
1 1 1 -14 10 15 o 1  1.82717      0.372196    245.365   -29.9516     29.3005   -29.9516     97.7441   150.048      
1 1 1 -14 10 16 f 0  5.62751      0.535919    380.644   28.981       566.204   28.981       109.357   28.981       
1 1 1 -14 10 17 o 4  1.74634      0.568541    529.733   29.2463      70.2488   29.2463      197.209   -150.754     
1 1 1 -14 10 18 o 2  8.116        0.6213      661.904   -121.024     927.621   -121.024     191.97    -121.024     
1 1 1 -14 10 19 o 1  1.30381      0.351489    181.42    -32.1729     166.209   -32.1729     11.6964   -32.1729     
1 1 1 -14 10 20 o 9  0.31205      0.351591    223.435   161.046      ?         ?            ?         ?            
1 1 1 -14 12 1  o 13 9.06402      0.630928    598.687   -21.8182     518.745   -21.8182     11.6818   158.182      
1 1 1 -14 12 2  o 2  9.65565      0.529433    883.656   -142.791     583.358   -142.791     108.616   37.2094      
1 1 1 -14 12 3  o 14 16.8375      0.849658    1079.48   -141.531     1035.61   -141.531     28.2815   -141.531     
1 1 1 -14 12 4  o 3  0.739096     0.269458    773.44    78.5172      640.93    -101.483     671.576   -101.483     
1 1 1 -14 12 5  o 17 15.8743      0.910754    879.918   22.4439      1099.15   22.4439      149.979   22.4439      
1 1 1 -14 12 6  o 7  6.8602       1.03923     1077.18   5.56727      208.206   5.56727      384.639   -174.433     
1 1 1 -14 12 7  f 0  16.6744      0.916366    787.58    -90.1484     1265.61   -90.1484     276.246   -90.1484     
1 1 1 -14 12 8  o 6  2.20416      0.337768    435.189   -175.71      98.2479   4.29008      245.642   4.29008      
1 1 1 -14 12 9  o 15 4.86187      0.676736    443.889   164.517      353.187   164.517      23.6708   -15.4833     
1 1 1 -14 12 10 o 19 2.90955      0.432584    455.878   -91.1711     91.3549   88.8289      251.979   88.8289      
1 1 1 -14 12 11 o 7  2.88715      0.452913    461.372   49.9792      175.406   49.9792      122.607   -130.021     
1 1 1 -14 12 12 o 2  3.91907      0.814733    609.259   145.926      293.645   145.926      132.684   -34.0741     
1 1 1 -14 12 13 o 15 2.91778      0.492161    109.456   -98.9791     129.319   -98.9791     14.7554   -98.9791     
1 1 1 -14 12 14 o 17 0.322638     0.475962    175.329   100.75       81.1056   -79.2495     118.035   -79.2495     
1 1 1 -14 12 15 o 19 1.81072      0.490342    219.988   -35.3252     206.93    -35.3252     11.3205   -35.3252     
1 1 1 -14 12 16 o 18 1.50431      0.462165    194.267   116.282      132.605   116.282      11.2543   -63.7179     
1 1 1 -14 12 17 o 13 0.734421     0.418861    306.92    0.622776     ?         ?            ?         ?            
1 1 1 -14 12 18 f 0  0.94207      0.582198    112.6     15.1478      ?         ?            ?         ?            
1 1 1 -14 14 1  f 0  1.37738      0.45019     329.937   158.873      99.7022   -21.1265     199.92    -21.1265     
1 1 1 -14 14 2  o 9  1.31984      0.424623    564.799   86.7613      179.954   -93.2387     347.024   -93.2387     
1 1 1 -14 14 3  o 3  2.48201      0.366277    365.354   -78.5385     90.6373   -78.5385     121.194   101.462      
1 1 1 -14 14 4  o 10 1.40462      0.359355    231.34    -164.25      77.9661   15.7504      144.646   15.7504      
1 1 1 -14 14 5  o 1  3.63335      0.384621    287.654   12.611       313.503   12.611       25.0315   12.611       
1 1 1 -14 14 6  o 6  1.04223      0.329671    303.317   3.29723      100.684   -176.703     189.501   -176.703     
1 1 1 -14 14 7  o 12 1.28247      0.389245    345.862   -47.339      29.8128   132.661      173.457   132.661      
1 1 1 -14 14 8  f 0  0.382426     0.27427     243.213   73.7098      171.009   -106.29      196.225   -106.29      
1 1 1 -14 14 9  o 9  2.12044      0.437807    575.609   -56.0847     97.5725   -56.0847     208.784   123.915      
1 1 1 -14 14 10 o 8  2.05688      0.543594    419.694   -14.8387     216.101   -14.8387     74.2231   165.161      
1 1 1 -14 14 11 o 2  0.112589     0.293057    102.39    -75.0102     ?         ?            ?         ?            
1 1 1 -14 14 12 o 16 0.241372     0.309836    285.872   143.219      143.357   -36.7814     186.733   -36.7814     
1 1 1 -14 14 13 o 11 -0.415723    0.209628    276.023   -111.693     192.903   68.307       205.045   68.307       
1 1 1 -14 14 14 o 4  0.77815      0.399968    292.605   -169.755     ?         ?            ?         ?            
1 1 1 -14 14 15 o 8  0.702209     0.383059    79.3897   -49.0121     ?         ?            ?         ?            
1 1 1 -14 16 1  o 12 0.693041     0.450109    221.539   -14.0365     13.7887   165.964      97.697    165.964      
1 1 1 -14 16 2  o 19 0.856397     0.494098    137.37    -59.7255     4.34549   120.275      58.3313   120.275      
1 1 1 -14 16 3  o 14 1.59265      0.402615    651.666   38.0906      47.0567   38.0906      241.34    -141.909     
1 1 1 -14 16 4  o 3  1.02017      0.484969    332.965   -160.527     7.48762   19.4732      137.96    19.4732      
1 1 1 -14 16 5  o 15 1.4115       0.326818    348.064   -14.712      175.489   -14.712      51.2312   165.288      
1 1 1 -14 16 6  o 16 0.335705     0.265976    216.69    -60.0723     93.1865   119.928      132.324   119.928      
1 1 1 -14 16 7  o 1  0.547046     0.269493    427.97    130.806      81.7619   -49.1938     208.829   -49.1938     
1 1 1 -14 16 8  o 1  0.815899     0.343979    169.262   -58.921      43.7116   -58.921      43.9268   121.079      
1 1 1 -14 16 9  o 6  -0.0414649   0.225429    135.914   27.5901      71.3303   -152.41      87.5497   -152.41      
1 1 1 -14 16 10 o 13 1.29146      0.420995    130.782   100.543      ?         ?            ?         ?            
1 1 1 -13 1  1  o 11 77.0894      2.19089     1779.24   26.288       2391.8    26.288       338.557   26.288       
1 1 1 -13 1  2  o 17 44.8425      1.30898     1029.67   -166.605     1383.59   -166.605     196.572   -166.605     
1 1 1 -13 1  3  o 15 14.2094      0.882622    565.606   -70.0549     84.46     -70.0549     228.064   109.945      
1 1 1 -13 1  4  o 14 1.35486      0.323244    205.304   166.459      ?         ?            ?         ?            
1 1 1 -13 1  5  o 19 213.989      7.08148     3662.74   -139.757     4152.61   -139.757     388.161   -139.757     
1 1 1 -13 1  6  o 7  71.4737      2.76951     1022.81   87.2004      2623.38   87.2004      852.723   87.2004      
1 1 1 -13 1  7  o 1  89.7663      2.52188     1939.18   -80.8771     3097.25   -80.8771     699.691   -80.8771     
1 1 1 -13 1  8  o 13 23.4729      0.939234    1189.6    148.515      861.112   148.515      81.3151   -31.4846     
1 1 1 -13 1  9  o 1  20.3254      1.01854     440.637   94.9485      537.222   94.9485      80.86     94.9485      
1 1 1 -13 1  10 o 19 16.4234      0.745035    1276.11   -35.2539     393.442   -35.2539     342.513   144.746      
1 1 1 -13 1  11 o 5  10.3012      0.61287     652.229   88.142       629.47    88.142       42.9624   88.142       
1 1 1 -13 1  12 o 4  7.7528       0.748463    524.325   89.2039      414.266   89.2039      6.92822   -90.7961     
1 1 1 -13 1  13 o 17 1.64867      0.268177    522.969   141.294      213.525   -38.706      316.71    -38.706      
1 1 1 -13 1  14 o 16 0.430378     0.203799    250.954   -163.615     ?         ?            ?         ?            
1 1 1 -13 1  15 o 17 29.6392      1.17968     1874.88   87.4451      875.023   87.4451      340.102   -92.5549     
1 1 1 -13 1  16 o 8  34.4769      1.30427     872.598   -85.3525     1998.03   -85.3525     620.05    -85.3525     
1 1 1 -13 1  17 o 1  32.6481      1.64782     533.822   36.3487      1922.63   36.3487      721.01    36.3487      
1 1 1 -13 1  18 o 12 16.2465      0.807162    838.321   77.9116      1023.14   77.9116      130.991   77.9116      
1 1 1 -13 1  19 o 4  2.85755      0.486592    403.237   -126.307     ?         ?            ?         ?            
1 1 1 -13 1  20 o 7  9.5746       0.660001    704.445   -89.6977     774.524   -89.6977     67.2604   -89.6977     
1 1 1 -13 1  21 o 12 2.82313      0.407267    442.727   -91.7047     185.936   -91.7047     110.096   88.2953      
1 1 1 -13 1  22 o 5  5.36174      0.581989    464.669   104.136      618.608   104.136      104.714   104.136      
1 1 1 -13 1  23 o 15 6.25317      0.838797    599.604   13.5812      740.974   13.5812      127.488   13.5812      
1 1 1 -13 1  24 o 16 7.78604      0.6361      546.256   131.722      ?         ?            ?         ?            
1 1 1 -13 3  1  o 14 79.6845      2.36579     2064.91   -136.734     2437.29   -136.734     258.221   -136.734     
1 1 1 -13 3  2  o 8  23.4478      1.19661     1250.14   -146.998     916.484   33.0024      1036.96   33.0024      
1 1 1 -13 3  3  o 3  3.34009      0.335821    194.764   123.736      151.562   -56.2645     164.991   -56.2645     
1 1 1 -13 3  4  o 18 11.7015      0.841836    1542.2    -106.82      304.477   73.1804      847.669   73.1804      
1 1 1 -13 3  5  o 15 24.6947      0.930976    851.908   121.073      491.225   121.073      131.583   -58.9268     
1 1 1 -13 3  6  o 1  20.5945      0.858288    798.385   -71.1957     306.508   108.804      500.729   108.804      
1 1 1 -13 3  7  o 17 72.3931      2.28415     1976.65   -57.6587     2512.76   -57.6587     407.085   -57.6587     
1 1 1 -13 3  8  o 14 50.1866      1.87832     606.128   -112.414     2320.07   -112.414     901.735   -112.414     
1 1 1 -13 3  9  o 7  19.0365      1.47862     1139.89   -60.6943     786.9     -60.6943     88.8104   119.306      
1 1 1 -13 3  10 o 18 21.7381      0.89937     712.529   -119.568     1470.46   -119.568     437.259   -119.568     
1 1 1 -13 3  11 o 4  9.13565      0.738674    335.891   131.074      382.807   131.074      53.4449   131.074      
1 1 1 -13 3  12 o 4  14.7264      0.645643    1179.43   5.26155      950.273   5.26155      0.417123  -174.738     
1 1 1 -13 3  13 o 8  16.605       0.716812    1424.34   164.089      482.552   164.089      329.608   -15.911      
1 1 1 -13 3  14 o 3  6.24481      0.456972    446.399   -60.8929     181.428   -60.8929     91.4486   119.107      
1 1 1 -13 3  15 o 14 3.22158      0.587893    82.6705   94.9595      ?         ?            ?         ?            
1 1 1 -13 3  16 f 0  10.6163      0.75045     238.93    67.995       153.677   67.995       29.0833   -112.005     
1 1 1 -13 3  17 o 15 5.13509      0.511902    825.729   132.622      122.662   132.622      313.103   -47.3784     
1 1 1 -13 3  18 o 4  13.5438      0.710679    991.984   122.214      882.774   122.214      7.76383   -57.7858     
1 1 1 -13 3  19 o 7  16.4227      0.849964    230.682   -52.7427     970.604   -52.7427     381.17    -52.7427     
1 1 1 -13 3  20 o 2  2.34043      0.381116    676.155   5.49573      474.319   -174.504     546.179   -174.504     
1 1 1 -13 3  21 o 5  11.3753      1.10228     964.195   135.495      869.777   135.495      4.29175   -44.5048     
1 1 1 -13 3  22 o 5  2.32838      0.377519    168.033   -12.4064     232.584   -12.4064     44.4582   -12.4064     
1 1 1 -13 3  23 o 6  4.91696      0.540206    705.154   21.3818      563.962   21.3818      1.66344   21.3818      
1 1 1 -13 3  24 o 1  9.41934      0.665905    426.668   168.587      ?         ?            ?         ?            
1 1 1 -13 5  1  o 15 16.542       0.751016    1237.44   -136.487     82.2713   43.5131      577.761   43.5131      
1 1 1 -13 5  2  o 16 6.24441      0.598265    509.549   -130.538     244.328   49.4624      342.7     49.4624      
1 1 1 -13 5  3  o 12 17.6972      0.872073    926.724   48.4892      290.78    48.4892      254.141   -131.511     
1 1 1 -13 5  4  o 18 85.969       2.6815      2541.61   -9.97249     2697.25   -9.97249     258.132   -9.97249     
1 1 1 -13 5  5  o 13 43.2554      1.61216     2328.04   -23.8254     1334.75   -23.8254     326.767   156.175      
1 1 1 -13 5  6  o 8  22.3612      0.959229    1062.74   -78.4214     1226.78   -78.4214     161.614   -78.4214     
1 1 1 -13 5  7  o 16 4.23629      0.449716    843.437   -89.8842     321.564   90.1158      517.354   90.1158      
1 1 1 -13 5  8  o 13 13.5461      0.678022    1216.2    -67.1199     628.207   -67.1199     195.535   112.88       
1 1 1 -13 5  9  o 1  6.40397      0.412616    849.834   109.443      333.597   -70.5571     518.079   -70.5571     
1 1 1 -13 5  10 o 6  77.4923      2.45298     2802.41   -56.5537     2504.04   -56.5537     112.793   -56.5537     
1 1 1 -13 5  11 f 0  0.873101     0.24906     692.192   -117.636     ?         ?            ?         ?            
1 1 1 -13 5  12 o 10 8.68936      0.591436    292.749   169.092      43.9477   -10.9078     139.59    -10.9078     
1 1 1 -13 5  13 o 9  12.7466      0.86077     667.292   73.6607      676.724   73.6607      64.3748   73.6607      
1 1 1 -13 5  14 o 16 2.47745      0.328279    507.356   -110.413     ?         ?            ?         ?            
1 1 1 -13 5  15 o 19 33.5007      1.24075     1031.5    -26.4373     1693.2    -26.4373     388.783   -26.4373     
1 1 1 -13 5  16 o 4  8.94429      0.579793    1003.64   7.11542      444.882   7.11542      232.542   -172.885     
1 1 1 -13 5  17 o 15 6.31236      0.506864    459.988   -157.772     297.113   -157.772     59.8471   22.2283      
1 1 1 -13 5  18 o 14 40.5228      1.52993     1236.82   -113.34      2276.25   -113.34      580.09    -113.34      
1 1 1 -13 5  19 o 9  1.42179      0.382374    709.902   130.349      277.093   -49.6514     462.108   -49.6514     
1 1 1 -13 5  20 o 15 3.65485      0.682691    454.184   -64.8664     182.512   -64.8664     116.694   115.134      
1 1 1 -13 5  21 o 7  7.1161       0.535723    703.647   152.378      711.559   152.378      48.3901   152.378      
1 1 1 -13 5  22 o 2  1.51546      0.363143    389.877   92.0445      168.825   92.0445      73.0449   -87.9555     
1 1 1 -13 5  23 o 5  4.45893      0.577575    267.023   114.387      ?         ?            ?         ?            
1 1 1 -13 7  1  o 9  21.1416      0.927215    2116.25   -124.979     554.638   -124.979     614.018   55.0206      
1 1 1 -13 7  2  o 13 5.01288      0.51048     302.957   140.127      69.3808   140.127      92.7781   -39.8734     
1 1 1 -13 7  3  o 10 4.93134      0.341432    924.952   -143.688     128.99    36.3122      452.689   36.3122      
1 1 1 -13 7  4  o 19 29.3058      1.30047     1320.18   157.451      1626.28   157.451      261.483   157.451      
1 1 1 -13 7  5  o 15 18.6956      1.08787     1184.86   -175.9       1149.2    -175.9       82.7713   -175.9       
1 1 1 -13 7  6  o 9  9.16648      0.578638    601.012   -44.1573     614.601   -44.1573     60.0997   -44.1573     
1 1 1 -13 7  7  o 14 3.00289      0.415623    19.3307   89.4181      10.7739   -90.5819     13.2513   -90.5819     
1 1 1 -13 7  8  o 18 2.35268      0.330753    935.6     20.2186      ?         ?            ?         ?            
1 1 1 -13 7  9  o 14 0.433454     0.214172    487.283   -138.689     ?         ?            ?         ?            
1 1 1 -13 7  10 o 3  17.6936      0.852168    1534.3    -11.2296     887.717   -11.2296     174.256   168.77       
1 1 1 -13 7  11 o 11 12.4027      1.23373     744.26    -136.65      602.533   -136.65      4.61071   43.3501      
1 1 1 -13 7  12 o 1  13.1158      0.728529    1009.3    -135.699     637.32    -135.699     109.814   44.3013      
1 1 1 -13 7  13 f 0  14.9976      1.07561     826.178   92.6466      619.055   92.6466      53.8773   -87.3534     
1 1 1 -13 7  14 o 18 25.5022      1.23849     1216.49   99.4597      1408.49   99.4597      155.55    99.4597      
1 1 1 -13 7  15 o 11 15.7654      0.794979    317.836   -130.544     962.925   -130.544     337.137   -130.544     
1 1 1 -13 7  16 o 19 12.9446      0.739973    361.503   77.2324      950.854   77.2324      312.113   77.2324      
1 1 1 -13 7  17 o 3  12.4318      0.940873    594.92    122.494      1023.24   122.494      242.692   122.494      
1 1 1 -13 7  18 f 0  2.56353      0.368306    342.627   -29.2814     26.4469   -29.2814     143.546   150.719      
1 1 1 -13 7  19 o 1  2.45921      0.550629    593.521   -61.909      105.252   -61.909      217.854   118.091      
1 1 1 -13 7  20 o 10 10.3762      0.702328    574.931   166.12       1101.17   166.12       302.475   166.12       
1 1 1 -13 7  21 f 0  0.839678     0.307114    269.955   -31.8        28.0561   -31.8        94.3507   148.2        
1 1 1 -13 7  22 f 0  0.856614     0.317536    169.06    -115.632     ?         ?            ?         ?            
1 1 1 -13 9  1  o 11 17.1186      0.710115    1082.31   100.99       1135.28   100.99       133.439   100.99       
1 1 1 -13 9  2  o 8  17.1177      0.693194    1577.71   -147.344     848.556   -147.344     208.372   32.6565      
1 1 1 -13 9  3  o 4  6.24229      0.44969     303.481   44.6138      258.971   44.6138      7.87978   44.6138      
1 1 1 -13 9  4  o 19 3.32632      0.408786    825.787   -39.3668     329.433   140.633      495.573   140.633      
1 1 1 -13 9  5  o 15 10.482       0.518226    563.654   17.9764      393.4     17.9764      29.5521   -162.024     
1 1 1 -13 9  6  f 0  1.254        0.222992    1199.52   -102.24      960.423   77.7601      964.45    77.7601      
1 1 1 -13 9  7  o 2  3.01462      0.346284    367.169   41.6542      115.377   -138.346     207.617   -138.346     
1 1 1 -13 9  8  o 3  0.506756     0.328758    841.773   -44.7151     ?         ?            ?         ?            
1 1 1 -13 9  9  o 6  3.71761      0.547593    726.256   -70.6258     ?         ?            ?         ?            
1 1 1 -13 9  10 o 10 4.37705      0.469786    172.824   -103.981     19.9285   76.0186      85.6144   76.0186      
1 1 1 -13 9  11 o 4  3.13549      0.48908     596.012   -178.281     426.106   1.71856      479.953   1.71856      
1 1 1 -13 9  12 o 18 3.64858      0.466678    88.9193   -59.1621     2.82367   120.838      41.7303   120.838      
1 1 1 -13 9  13 o 1  23.2344      0.988033    1519.09   -66.2686     1150.28   -66.2686     114.029   113.731      
1 1 1 -13 9  14 o 10 11.8366      0.717765    1296.73   -170.835     562.179   -170.835     304.366   9.16452      
1 1 1 -13 9  15 o 18 6.34534      0.644094    440.017   97.2124      550.095   97.2124      76.1416   97.2124      
1 1 1 -13 9  16 o 11 0.878198     0.388899    257.361   155.012      153.945   -24.9882     194.564   -24.9882     
1 1 1 -13 9  17 o 12 4.19658      0.565651    336.442   -121.977     419.99    -121.977     55.9742   -121.977     
1 1 1 -13 9  18 o 13 0.576621     0.255375    108.983   136.093      82.3035   -43.9072     89.2502   -43.9072     
1 1 1 -13 9  19 o 12 1.51189      0.306944    186.428   -128.306     138.263   -128.306     7.63119   51.6945      
1 1 1 -13 9  20 o 16 0.253943     0.256284    229.08    10.3505      119.499   -169.649     149.876   -169.649     
1 1 1 -13 9  21 f 0  0.701155     0.33624     315.11    -55.5464     ?         ?            ?         ?            
1 1 1 -13 11 1  o 6  8.37705      0.557758    742.028   -32.6026     358.891   -32.6026     140.677   147.397      
1 1 1 -13 11 2  o 15 20.5207      1.09805     1126.06   -109.026     1208.58   -109.026     117.3     -109.026     
1 1 1 -13 11 3  o 5  0.776577     0.213665    564.071   -107.63      482.926   72.3701      486.73    72.3701      
1 1 1 -13 11 4  o 10 9.96485      0.644781    1080.5    -138.937     476.743   -138.937     235.216   41.0635      
1 1 1 -13 11 5  o 2  2.24182      0.368176    487.547   -171.539     201.598   8.4614       316.601   8.4614       
1 1 1 -13 11 6  o 12 2.43739      0.328943    654.746   13.5701      403.19    -166.43      494.404   -166.43      
1 1 1 -13 11 7  o 19 1.75127      0.376792    290.529   -157.99      220.341   22.0101      241.258   22.0101      
1 1 1 -13 11 8  o 7  2.2046       0.329686    439.179   -69.4364     172.876   110.564      285.678   110.564      
1 1 1 -13 11 9  o 9  2.30676      0.377176    388.028   -78.2557     78.8885   101.744      215.615   101.744      
1 1 1 -13 11 10 o 3  2.46528      0.428486    195.056   127.6        6.86039   -52.4002     91.7206   -52.4002     
1 1 1 -13 11 11 o 8  2.64423      0.471355    901.643   -77.6688     198.898   102.331      506.282   102.331      
1 1 1 -13 11 12 o 7  6.53781      1.06005     425.388   79.0835      550.241   79.0835      82.8407   79.0835      
1 1 1 -13 11 13 o 8  -0.114581    0.247851    100.389   157.433      ?         ?            ?         ?            
1 1 1 -13 11 14 o 5  1.69658      0.476272    275.356   -156.303     53.2093   -156.303     99.7485   23.697       
1 1 1 -13 11 15 o 14 5.22         0.602244    515.916   -128.291     608.386   -128.291     70.6003   -128.291     
1 1 1 -13 11 16 o 3  0.714991     0.410804    258.03    16.9435      83.1782   -163.057     153.088   -163.057     
1 1 1 -13 11 17 o 17 4.23313      0.499998    624.316   114.202      519.208   114.202      5.77098   114.202      
1 1 1 -13 11 18 o 9  0.984989     0.399981    161.348   82.7255      69.8765   82.7254      28.4018   -97.2746     
1 1 1 -13 11 19 o 1  0.26295      0.316219    94.8303   -123.998     ?         ?            ?         ?            
1 1 1 -13 13 1  o 1  1.60925      0.434215    304.985   90.6648      113.04    -89.3352     194.413   -89.3352     
1 1 1 -13 13 2  o 16 0.419515     0.242497    284.608   -46.2055     224.548   133.795      240.915   133.795      
1 1 1 -13 13 3  o 2  5.06538      0.425687    492.405   22.2967      299.267   22.2967      72.7873   -157.703     
1 1 1 -13 13 4  o 18 3.13122      0.344498    449.776   164.489      6.59781   -15.5111     206.306   -15.5111     
1 1 1 -13 13 5  o 7  2.13562      0.429048    202.62    8.5349       38.3458   -171.465     110.581   -171.465     
1 1 1 -13 13 6  o 1  3.98955      0.377297    441.179   -174.156     250.601   -174.156     73.8335   5.84382      
1 1 1 -13 13 7  o 1  1.26313      0.347679    362.26    137.264      275.727   -42.7356     301.775   -42.7356     
1 1 1 -13 13 8  o 5  3.86855      0.446023    874.308   19.8181      84.994    19.8181      355.012   -160.182     
1 1 1 -13 13 9  o 5  2.81244      0.456642    701.343   -128.712     76.913    -128.712     282.355   51.2877      
1 1 1 -13 13 10 o 18 8.45393      0.711997    1016.47   -150.49      527.165   -150.49      202.84    29.5096      
1 1 1 -13 13 11 o 8  3.2451       0.739704    774.402   165.083      152.979   165.083      276.22    -14.9169     
1 1 1 -13 13 12 o 4  0.0135596    0.28212     192.692   -38.1524     164.775   141.848      167.894   141.848      
1 1 1 -13 13 13 o 16 1.74895      0.40976     275.718   41.2844      176.8     41.2844      28.5884   -138.716     
1 1 1 -13 13 14 o 17 1.62369      0.480811    184.56    57.9347      188.427   57.9347      19.5292   57.9347      
1 1 1 -13 13 15 o 1  0.969276     0.383737    380.773   94.2505      60.9487   94.2505      119.297   -85.7495     
1 1 1 -13 13 16 o 19 1.23761      0.844843    376.505   73.5021      ?         ?            ?         ?            
1 1 1 -13 15 1  o 8  0.564788     0.327059    156.119   41.5576      126.635   -138.442     134.358   -138.442     
1 1 1 -13 15 2  o 6  -0.104332    0.283169    351.826   -113.642     301.49    66.3578      310.623   66.3578      
1 1 1 -13 15 3  o 8  0.804242     0.485411    87.5895   75.1395      34.729    -104.86      57.031    -104.86      
1 1 1 -13 15 4  o 5  0.274215     0.287053    42.5135   -86.9764     32.7928   93.0236      35.5264   93.0236      
1 1 1 -13 15 5  o 11 0.560742     0.293224    308.081   -77.6355     203.065   102.365      238.686   102.365      
1 1 1 -13 15 6  o 5  0.664231     0.282422    403.011   -33.6524     144.244   146.348      248.628   146.348      
1 1 1 -13 15 7  o 9  0.624749     0.274125    43.6182   14.3779      12.6346   -165.622     24.9933   -165.622     
1 1 1 -13 15 8  o 14 4.80127      0.546911    672.128   113.365      551.841   113.365      4.06596   -66.6352     
1 1 1 -13 15 9  o 13 2.73817      0.610156    459.212   96.0412      376.411   96.0412      2.13668   96.0412      
1 1 1 -13 15 10 o 7  1.39638      0.472967    207.147   -173.747     168.015   -173.747     1.84831   -173.747     
1 1 1 -13 15 11 o 15 0.315907     0.384145    401.911   124.272      114.717   -55.7276     214.542   -55.7276     
1 1 1 -13 15 12 o 16 0.93976      0.516247    227.997   -47.3888     ?         ?            ?         ?            
1 1 1 -13 15 13 o 3  2.01043      0.499972    383.598   -32.5685     ?         ?            ?         ?            
1 1 1 -13 17 1  o 5  0.824694     0.396915    167.669   71.1354      70.5572   71.1354      29.3406   -108.865     
1 1 1 -13 17 2  o 2  0.552063     0.356162    386.954   67.0314      34.9625   -112.969     166.325   -112.969     
1 1 1 -13 17 3  o 1  0.442186     0.350653    474.301   155.448      162.616   -24.5525     262.897   -24.5525     
1 1 1 -13 17 4  o 8  0.195447     0.312265    108.492   89.1615      27.9842   -90.8385     55.201    -90.8385     
1 1 1 -13 17 5  o 18 0.0966844    0.24119     210.105   -50.8116     90.4424   129.188      124.235   129.188      
1 1 1 -13 17 6  o 12 0.447779     0.281328    76.2329   -139.295     ?         ?            ?         ?            
1 1 1 -12 0  1  o 17 331.239      9.08907     3204.27   180          7050.82   180          1979.79   180          
1 1 1 -12 0  2  o 15 150.993      5.52389     2168.54   0            3572.72   0            739.973   0            
1 1 1 -12 0  3  o 3  61.4176      2.46152     900.042   180          2540.34   180          837.045   180          
1 1 1 -12 0  4  o 3  28.2525      1.31278     1736.78   180          927.498   180          363.072   2.49415e-14  
1 1 1 -12 0  5  o 14 92.1587      4.3284      2327.93   180          2290.17   180          59.9832   180          
1 1 1 -12 0  6  o 2  8.69691      0.630291    416.512   180          232.024   4.39873e-15  304.751   1.6745e-15   
1 1 1 -12 0  7  o 12 39.9318      6.16721     59.9757   0            37.6537   180          45.2567   180          
1 1 1 -12 0  8  o 1  132.369      7.00628     2737.44   180          4031.89   180          834.068   180          
1 1 1 -12 0  9  o 4  21.291       1.36738     831.334   0            1086.01   0            188.204   0            
1 1 1 -12 0  10 o 12 1.38521      0.647575    314.709   180          225.542   1.27188e-15  245.983   5.83091e-16  
1 1 1 -12 0  11 o 19 0.950958     0.217126    140.087   180          105.966   7.34364e-16  111.512   3.48923e-16  
1 1 1 -12 0  12 o 19 1.10228      0.49484     140.802   0            ?         ?            ?         ?            
1 1 1 -12 0  13 o 8  1.09582      0.263601    480.781   180          293.682   2.21813e-15  340.102   9.57693e-16  
1 1 1 -12 0  14 o 10 2.64107      0.540761    218.544   180          37.7791   2.56062e-14  106.713   4.53262e-15  
1 1 1 -12 0  15 o 1  4.04307      0.667959    392.342   0            ?         ?            ?         ?            
1 1 1 -12 0  16 o 16 54.483       3.26322     1958.72   0            2369.3    0            337.325   0            
1 1 1 -12 0  17 o 17 17.6149      1.36565     1105.8    180          997.321   180          1.79405   180          
1 1 1 -12 0  18 f 0  5.39148      1.07668     615.543   180          258.231   180          150.384   1.90654e-14  
1 1 1 -12 0  19 o 8  1.05951      0.439103    842.637   0            509.401   180          635.014   180          
1 1 1 -12 0  20 o 11 20.6834      1.41958     695.206   0            1887.4    0            628.159   0            
1 1 1 -12 0  21 o 8  16.3023      1.23865     892.744   180          1405.44   180          293.131   180          
1 1 1 -12 0  22 f 0  2.28514      0.622508    257.995   0            245.552   0            8.79578   0            
1 1 1 -12 0  23 o 2  2.3912       0.634317    773.525   180          181.304   180          223.748   1.27024e-14  
1 1 1 -12 0  24 o 17 1.14307      0.906822    218.798   180          ?         ?            ?         ?            
1 1 1 -12 2  1  o 3  26.7321      1.28352     1416.91   -32.404      492.704   -32.404      433.131   147.596      
1 1 1 -12 2  2  o 19 133.012      4.10546     2685.94   26.2084      3480.05   26.2084      456.272   26.2084      
1 1 1 -12 2  3  o 18 53.8261      2.16352     1427.13   73.2682      1238.17   73.2682      57.0096   -106.732     
1 1 1 -12 2  4  o 19 10.7         0.661441    1577.89   78.3987      926.058   -101.601     1198.63   -101.601     
1 1 1 -12 2  5  o 14 170.253      4.33737     3573.2    -70.6613     3378.58   -70.6612     60.7852   -70.6612     
1 1 1 -12 2  6  o 5  97.0429      2.91184     2518.47   -96.3348     1907.4    -96.3348     165.7     83.6652      
1 1 1 -12 2  7  o 8  11.6811      0.601601    1182.87   -6.27437     262.499   173.726      645.794   173.726      
1 1 1 -12 2  8  o 7  11.4937      0.669062    1225.33   149.378      299.88    -30.6218     675.43    -30.6218     
1 1 1 -12 2  9  f 0  3.79344      0.302288    104.609   126.244      29.7273   -53.7561     59.3504   -53.7561     
1 1 1 -12 2  10 o 15 5.91684      0.43435     988.304   32.2161      174.149   -147.784     503.618   -147.784     
1 1 1 -12 2  11 o 13 0.800833     0.140964    316.613   -150.92      254.466   29.0799      258.627   29.0799      
1 1 1 -12 2  12 f 0  29.94        1.16646     1218.29   -179.374     1826.73   -179.374     418.065   -179.374     
1 1 1 -12 2  13 o 15 20.5181      0.96449     1504.22   -73.4709     1109.1    -73.4709     48.4488   106.529      
1 1 1 -12 2  14 o 1  5.1956       0.733873    727.602   31.5105      ?         ?            ?         ?            
1 1 1 -12 2  15 o 13 39.7286      1.53165     1891.46   120.051      1463.36   120.051      58.628    -59.9493     
1 1 1 -12 2  16 o 6  13.8372      0.732611    776.711   -12.6481     236.838   -12.6481     221.377   167.352      
1 1 1 -12 2  17 o 10 15.1589      0.69707     1236.16   -105.074     526.684   -105.074     294.914   74.9259      
1 1 1 -12 2  18 o 7  70.1737      2.26038     1265.01   64.3326      3312.35   64.3326      1082.29   64.3326      
1 1 1 -12 2  19 o 6  32.7395      1.25691     778.304   135.537      2236.87   135.537      767.321   135.537      
1 1 1 -12 2  20 o 3  2.07683      0.432338    690.135   -140.445     414.788   39.5552      521.584   39.5552      
1 1 1 -12 2  21 o 9  21.5793      0.955765    780.945   22.2824      1684.93   22.2824      484.806   22.2824      
1 1 1 -12 2  22 o 16 8.21761      0.651183    506.368   -76.2233     993.156   -76.2233     275.947   -76.2233     
1 1 1 -12 2  23 o 5  1.76324      0.458537    227.562   -154.196     242.659   -154.196     29.8718   -154.196     
1 1 1 -12 2  24 o 9  6.9235       0.540191    517.356   9.27882      ?         ?            ?         ?            
1 1 1 -12 4  1  o 11 198.659      7.5728      3999.47   -4.7006      3782.56   -4.7006      89.171    -4.7006      
1 1 1 -12 4  2  o 9  18.2285      1.07823     2176.23   130.864      ?         ?            ?         ?            
1 1 1 -12 4  3  o 6  53.3621      2.1291      2406.84   132.84       1477.49   132.84       331.408   -47.1596     
1 1 1 -12 4  4  o 17 91.2566      2.92504     3312.01   26.9707      1908.85   26.9707      500.912   -153.029     
1 1 1 -12 4  5  o 10 110.124      2.62471     2542.79   -151.092     3173.9    -151.092     483.201   -151.092     
1 1 1 -12 4  6  o 15 61.5394      2.10816     1811.31   -54.7725     1985.44   -54.7725     214.475   -54.7725     
1 1 1 -12 4  7  o 9  34.2493      1.23357     1751.1    32.7446      1197.61   32.7446      148.091   -147.255     
1 1 1 -12 4  8  o 5  29.7881      1.44569     1193.54   106.048      1426.65   106.048      207.417   106.048      
1 1 1 -12 4  9  o 4  31.9133      1.49942     1947.39   4.07109      1310.64   4.07109      162.582   -175.929     
1 1 1 -12 4  10 o 1  59.6352      2.26078     2342.56   73.5591      2133.98   73.5591      97.7935   73.5591      
1 1 1 -12 4  11 o 18 4.76293      0.315776    320.782   -81.9413     144.713   -81.9413     57.9178   98.0587      
1 1 1 -12 4  12 o 9  11.562       0.652195    1304.7    -106.101     536.786   73.8992      791.5     73.8992      
1 1 1 -12 4  13 o 16 15.2103      0.826927    452.114   -75.7483     939.183   -75.7483     287.371   -75.7483     
1 1 1 -12 4  14 o 18 6.04531      0.463492    674.215   133.208      190.344   -46.7917     374.88    -46.7917     
1 1 1 -12 4  15 o 8  1.55634      0.30371     253.554   120.911      ?         ?            ?         ?            
1 1 1 -12 4  16 o 9  11.0176      0.644461    1136.32   38.9155      395.919   38.9155      312.175   -141.085     
1 1 1 -12 4  17 o 19 60.6397      2.05424     1149.07   -103.194     3062.04   -103.194     1009.19   -103.194     
1 1 1 -12 4  18 o 4  11.4442      0.945549    1041.83   174.498      688.55    174.498      126.264   -5.50226     
1 1 1 -12 4  19 o 10 44.4699      1.5383      822.887   91.4288      2769.83   91.4288      1012.35   91.4288      
1 1 1 -12 4  20 o 2  9.40721      0.737156    392.701   176.129      940.704   176.129      290.234   176.129      
1 1 1 -12 4  21 o 9  0.652898     0.309404    187.913   154.405      89.8663   -25.5946     129.36    -25.5946     
1 1 1 -12 4  22 o 6  1.05102      0.406618    176.659   -179.059     14.3326   -179.059     66.349    0.940735     
1 1 1 -12 4  23 o 16 1.45154      0.337412    254.387   124.906      191.632   124.906      4.2315    -55.0938     
1 1 1 -12 4  24 o 14 2.20365      0.408676    345.732   56.5051      ?         ?            ?         ?            
1 1 1 -12 6  1  o 2  24.1149      1.17266     1814.45   95.2102      809.977   95.2102      369.694   -84.7898     
1 1 1 -12 6  2  o 11 21.912       0.865017    777.586   125.996      595.989   125.996      33.711    -54.0038     
1 1 1 -12 6  3  o 7  22.0023      1.05928     1571.97   78.0994      917.338   78.0994      210.737   -101.901     
1 1 1 -12 6  4  o 11 16.2932      0.898853    1634.72   46.0271      341.758   46.0271      523.478   -133.973     
1 1 1 -12 6  5  o 17 6.93255      0.511298    500.182   124.735      180.86    124.735      121.253   -55.2653     
1 1 1 -12 6  6  o 11 8.98364      0.712792    522.071   92.9338      448.869   92.9338      4.73465   92.9338      
1 1 1 -12 6  7  o 16 22.6674      1.05547     1305.72   -173.606     1049.49   -173.606     19.847    6.39418      
1 1 1 -12 6  8  o 4  3.94455      0.399708    952.81    -126.857     734.061   53.1434      759.402   53.1434      
1 1 1 -12 6  9  o 1  32.7581      1.42089     1532.49   121.126      1764.53   121.126      260.349   121.126      
1 1 1 -12 6  10 f 0  5.77208      0.530507    472.378   39.1789      13.1379   39.1789      183.01    -140.821     
1 1 1 -12 6  11 o 9  0.859971     0.181963    463.924   176.189      370.2     -3.81105     371.34    -3.81105     
1 1 1 -12 6  12 o 7  18.8227      1.73031     1132.53   -117.041     1166.25   -117.041     120.253   -117.041     
1 1 1 -12 6  13 o 14 22.496       0.995798    1286.58   -105.342     1025.81   -105.342     31.2869   74.6584      
1 1 1 -12 6  14 o 4  24.4212      1.15346     1651.53   156.582      871.652   156.582      290.443   -23.418      
1 1 1 -12 6  15 o 10 2.20444      0.317528    868.44    41.6532      574.25    -138.347     679.274   -138.347     
1 1 1 -12 6  16 o 15 45.369       1.56527     1431.11   -51.2802     2262.7    -51.2802     481.732   -51.2802     
1 1 1 -12 6  17 o 9  1.1294       0.2705      494.25    146.7        ?         ?            ?         ?            
1 1 1 -12 6  18 o 9  4.44489      0.744727    743.14    43.8009      201.914   43.8009      235.787   -136.199     
1 1 1 -12 6  19 o 18 8.7039       0.649528    686.078   -43.047      834.347   -43.047      102.468   -43.047      
1 1 1 -12 6  20 o 3  2.44239      0.378868    368.312   18.9172      169.617   18.9172      80.9763   -161.083     
1 1 1 -12 6  21 o 7  9.67545      0.655247    348.463   -152.361     1228.33   -152.361     468.159   -152.361     
1 1 1 -12 6  22 o 14 0.955729     0.386888    84.2135   174.338      42.5453   174.338      11.9749   -5.66174     
1 1 1 -12 6  23 o 19 1.17321      0.34366     278.74    -130.806     ?         ?            ?         ?            
1 1 1 -12 8  1  o 11 0.790619     0.17872     872.741   49.8108      ?         ?            ?         ?            
1 1 1 -12 8  2  o 19 5.29191      0.446899    727.271   39.9392      142.934   -140.061     370.569   -140.061     
1 1 1 -12 8  3  o 3  32.809       1.68345     2012.54   35.5521      1388.35   35.5521      130.554   -144.448     
1 1 1 -12 8  4  o 19 1.72211      0.330746    801.163   -171.711     ?         ?            ?         ?            
1 1 1 -12 8  5  o 13 1.82382      0.202023    909.94    -102.316     617.377   77.6843      677.133   77.6843      
1 1 1 -12 8  6  o 16 5.29574      0.540323    1287.99   133.375      20.0735   -46.6254     528.174   -46.6254     
1 1 1 -12 8  7  o 17 14.4442      0.687788    1245.8    -115.161     736.38    -115.161     130.995   64.8393      
1 1 1 -12 8  8  o 11 6.46686      0.448801    832.787   131.122      24.0069   -48.8776     346.384   -48.8776     
1 1 1 -12 8  9  f 0  9.12152      0.6222      1246.54   11.6105      340.854   11.6105      335.904   -168.389     
1 1 1 -12 8  10 o 7  6.77449      1.12245     655.857   -101.552     292.353   -101.552     126.316   78.4476      
1 1 1 -12 8  11 o 17 15.4083      0.771106    744.053   163.715      1019.8    163.715      191.07    163.715      
1 1 1 -12 8  12 o 13 14.5463      0.83387     1708.84   1.08009      350.046   1.08009      580.444   -178.92      
1 1 1 -12 8  13 o 16 17.065       1.08922     705.812   -88.2072     1093.5    -88.2072     228.009   -88.2072     
1 1 1 -12 8  14 o 12 29.1908      1.50218     1223.76   -132.536     1680.28   -132.536     284.453   -132.536     
1 1 1 -12 8  15 o 15 4.78552      0.416627    433.232   -174.552     245.556   -174.552     72.9996   5.44774      
1 1 1 -12 8  16 o 16 19.327       1.20191     728.782   -79.137      1553.97   -79.137      447.804   -79.137      
1 1 1 -12 8  17 o 6  3.72914      0.46809     567.475   100.513      271.162   100.513      123.558   -79.4874     
1 1 1 -12 8  18 f 0  2.22601      0.363643    712.944   96.6948      211.83    -83.3052     432.213   -83.3052     
1 1 1 -12 8  19 o 11 2.22441      0.351649    25.9527   -152.68      20.1221   -152.68      1.33844   27.3203      
1 1 1 -12 8  20 o 15 0.390013     0.354064    474.056   -140.204     221.394   39.7962      304.238   39.7962      
1 1 1 -12 8  21 o 9  0.850978     0.307094    322.225   94.8947      ?         ?            ?         ?            
1 1 1 -12 8  22 o 7  0.254896     0.358238    248.155   -3.34728     ?         ?            ?         ?            
1 1 1 -12 10 1  o 3  6.92231      0.586237    650.275   -13.1627     239.535   -13.1627     144.166   166.837      
1 1 1 -12 10 2  o 17 11.416       0.736975    987.2     -42.2196     449.086   -42.2196     176.843   137.78       
1 1 1 -12 10 3  o 4  44.3633      2.07002     1583.86   140.307      2109.13   140.307      407.922   140.307      
1 1 1 -12 10 4  o 4  1.39165      0.394836    464.774   -113.725     346.782   66.2747      364.505   66.2747      
1 1 1 -12 10 5  o 2  3.60409      0.303023    566.963   152.951      48.1142   -27.0492     259.738   -27.0492     
1 1 1 -12 10 6  o 14 12.75        0.689998    1049.46   167.411      646.166   167.411      119.753   -12.589      
1 1 1 -12 10 7  o 15 16.8119      0.833271    1410.75   -28.0573     813.068   -28.0573     199.931   151.943      
1 1 1 -12 10 8  o 12 8.35776      0.977595    780.948   79.1916      391.285   79.1916      146.954   -100.808     
1 1 1 -12 10 9  o 8  15.3728      0.892973    1512.4    141.9        460.531   141.9        445.556   -38.0996     
1 1 1 -12 10 10 o 2  4.67688      0.860248    369.678   127.712      48.8103   127.712      142.849   -52.2876     
1 1 1 -12 10 11 o 14 15.2185      1.08508     922.538   52.5266      931.66    52.5266      46.8814   52.5266      
1 1 1 -12 10 12 o 17 9.40373      0.778139    1209.57   -77.8233     319.807   -77.8233     387.61    102.177      
1 1 1 -12 10 13 o 4  7.0687       0.57144     1031.98   116.289      350.495   116.289      290.312   -63.7114     
1 1 1 -12 10 14 o 6  1.68567      0.679372    295.006   6.88424      36.1926   -173.116     151.756   -173.116     
1 1 1 -12 10 15 o 14 1.791        0.4465      639.15    65.3133      118.893   -114.687     352.07    -114.687     
1 1 1 -12 10 16 o 2  9.92725      0.715107    615.807   -105.084     1029.81   -105.084     233.552   -105.084     
1 1 1 -12 10 17 o 19 0.872656     0.466092    66.6041   -66.2923     36.9557   113.708      47.7618   113.708      
1 1 1 -12 10 18 o 14 4.48961      0.531022    575.456   73.686       582.315   73.686       54.3261   73.686       
1 1 1 -12 10 19 o 15 3.64595      0.455676    759.971   124.155      367.517   124.155      115.565   -55.8446     
1 1 1 -12 10 20 o 3  0.72297      0.363398    269.742   -86.2112     ?         ?            ?         ?            
1 1 1 -12 12 1  o 7  4.84304      0.555152    391.245   -129.664     83.9527   -129.664     134.764   50.3356      
1 1 1 -12 12 2  o 3  10.3717      0.549654    862.604   13.4378      535.904   13.4378      122.055   -166.562     
1 1 1 -12 12 3  o 6  4.03517      0.397243    239.755   -137.569     29.7336   -137.569     93.7057   42.4313      
1 1 1 -12 12 4  o 10 2.30117      0.311269    598.894   60.4066      230.48    -119.593     386.914   -119.593     
1 1 1 -12 12 5  o 2  8.99564      0.636037    420.03    -71.1464     564.283   -71.1464     91.4045   -71.1464     
1 1 1 -12 12 6  o 18 5.13699      0.944261    839.292   164.239      143.214   164.239      309.388   -15.7614     
1 1 1 -12 12 7  o 7  25.0396      1.00565     941.034   80.5957      1682.77   80.5957      415.036   80.5957      
1 1 1 -12 12 8  o 6  2.54588      0.362607    228.94    -153.867     22.9276   26.1334      114.902   26.1334      
1 1 1 -12 12 9  o 13 2.95519      0.465478    928.61    69.9312      112.268   -110.069     475.054   -110.069     
1 1 1 -12 12 10 o 18 0.363666     0.28043     488.337   -150.972     ?         ?            ?         ?            
1 1 1 -12 12 11 o 8  0.225016     0.275959    223.277   11.6207      ?         ?            ?         ?            
1 1 1 -12 12 12 o 3  4.6176       0.921219    558.371   -21.7092     398.691   -21.7092     56.727    158.291      
1 1 1 -12 12 13 o 6  4.26398      0.560929    429.726   6.61398      495.216   6.61398      51.3939   6.61398      
1 1 1 -12 12 14 o 9  0.732705     0.531368    132.214   -175.587     72.7302   4.41331      94.9909   4.41331      
1 1 1 -12 12 15 o 9  7.74615      0.871761    690.444   -131.318     829.456   -131.318     124.476   -131.318     
1 1 1 -12 12 16 o 14 2.46389      0.517487    332.01    -38.5313     301.376   -38.5313     17.897    -38.5313     
1 1 1 -12 12 17 o 10 2.57503      0.553125    398.544   108.998      436.371   108.998      62.7663   108.998      
1 1 1 -12 12 18 o 19 0.438761     0.726535    413.891   149.883      ?         ?            ?         ?            
1 1 1 -12 14 1  o 15 3.07225      0.542534    521.149   -112.105     151.736   -112.105     160.72    67.8949      
1 1 1 -12 14 2  o 10 1.56825      0.437063    168.22    -41.1572     14.249    138.843      83.5424   138.843      
1 1 1 -12 14 3  < 16 -1.34693     0.135212    384.225   115.252      ?         ?            ?         ?            
1 1 1 -12 14 4  o 1  0.59804      0.337487    211.659   163.238      186.514   -16.7624     189.773   -16.7624     
1 1 1 -12 14 5  o 1  9.15777      0.542234    539.73    118.142      946.991   118.142      226.662   118.142      
1 1 1 -12 14 6  f 0  1.21609      0.315871    77.8072   140.964      17.315    -39.0364     44.3357   -39.0364     
1 1 1 -12 14 7  o 16 0.181859     0.358732    423.907   -139.241     ?         ?            ?         ?            
1 1 1 -12 14 8  o 17 0.0791574    0.24619     206.382   -100.797     175.207   79.2032      181.782   79.2032      
1 1 1 -12 14 9  o 17 4.84235      0.596064    776.343   112.702      400.402   112.702      148.665   -67.2977     
1 1 1 -12 14 10 o 16 3.22065      0.609195    839.724   78.9751      156.248   78.9751      288.583   -101.025     
1 1 1 -12 14 11 o 19 0.298531     0.331222    444.342   -75.5804     337.724   104.42       355.411   104.42       
1 1 1 -12 14 12 o 5  0.793381     0.384921    403.79    -136.776     30.7179   43.2239      178.436   43.2239      
1 1 1 -12 14 13 o 3  1.06036      0.378029    293.406   169.458      106.464   169.458      62.3777   -10.542      
1 1 1 -12 14 14 o 16 0.128178     0.304655    24.9856   178.354      10.4518   -1.64566     14.8781   -1.64566     
1 1 1 -12 14 15 o 11 0.265872     0.337185    200.379   -117.588     ?         ?            ?         ?            
1 1 1 -12 16 1  o 4  0.716257     0.357475    284.324   136.112      44.7367   -43.8884     139.94    -43.8884     
1 1 1 -12 16 2  o 1  0.0531321    0.346134    79.014    174.474      52.9074   -5.52611     59.0232   -5.52611     
1 1 1 -12 16 3  o 2  1.85439      0.375636    219       -98.9556     210.991   -98.9556     15.823    -98.9556     
1 1 1 -12 16 4  o 17 1.62803      0.370764    210.181   -8.46934     140.747   -8.46934     14.8788   171.531      
1 1 1 -12 16 5  o 19 2.21834      0.364833    463.982   150.209      313.66    150.209      29.3171   -29.7913     
1 1 1 -12 16 6  o 8  0.0428569    0.20358     121.54    118.815      76.7461   -61.1855     86.6167   -61.1855     
1 1 1 -12 16 7  o 18 1.04252      0.312254    382.173   22.0136      101.59    22.0136      99.5287   -157.986     
1 1 1 -12 16 8  o 2  0.220259     0.268042    133.272   -174.407     46.6632   5.59308      75.2678   5.59308      
1 1 1 -12 16 9  o 15 0.252269     0.172776    393.419   163.639      174.145   -16.3607     237.901   -16.3607     
1 1 1 -12 16 10 o 17 0.57752      0.373979    281.408   -10.7906     ?         ?            ?         ?            
1 1 1 -11 1  1  o 2  89.2869      2.34876     2465.43   -44.4194     2185.87   -44.4194     96.1413   135.581      
1 1 1 -11 1  2  o 8  99.8074      2.74636     3300.89   -25.7689     1904.91   -25.7689     640.349   154.231      
1 1 1 -11 1  3  o 16 44.3693      1.61648     1457.55   -101.218     819.16    -101.218     291.832   78.7821      
1 1 1 -11 1  4  f 0  83.1429      2.48558     2187.63   -22.5348     2161.24   -22.5348     39.4468   -22.5348     
1 1 1 -11 1  5  f 0  79.6759      2.87399     1867.22   -18.8788     2520.84   -18.8788     390.634   -18.8788     
1 1 1 -11 1  6  o 16 55.3361      2.32241     2283.15   -38.8533     1602.69   -38.8533     232.317   141.147      
1 1 1 -11 1  7  o 10 136.124      4.48303     3032.19   120.04       3490      120.04       409.926   120.04       
1 1 1 -11 1  8  o 18 123.818      4.61436     3312.49   -32.7093     3104.61   -32.7093     122.966   -32.7093     
1 1 1 -11 1  9  o 3  6.70024      0.365405    551.679   -134.761     18.931    45.2387      244.837   45.2387      
1 1 1 -11 1  10 o 3  27.4431      1.12705     1824.07   163.269      1112.56   163.269      215.526   -16.731      
1 1 1 -11 1  11 o 2  9.99048      0.628141    980.908   -108.663     536.914   -108.663     141.07    71.3373      
1 1 1 -11 1  12 f 0  31.313       1.2348      618.733   36.4926      1737.03   36.4926      615.42    36.4926      
1 1 1 -11 1  13 o 10 9.43061      0.670487    1000.72   77.0944      393.012   77.0944      205.551   -102.906     
1 1 1 -11 1  14 o 5  50.6294      1.47217     2610.18   -122.821     1747.92   -122.821     175.619   57.1785      
1 1 1 -11 1  15 o 10 30.4231      1.32557     1227.32   -58.279      1612.49   -58.279      298.25    -58.279      
1 1 1 -11 1  16 o 17 23.9751      0.943746    973.289   107.065      1492.1    107.065      324.112   107.065      
1 1 1 -11 1  17 o 8  10.6998      0.695006    1152.17   -14.6161     316.778   -14.6161     359.903   165.384      
1 1 1 -11 1  18 o 1  85.6917      2.62915     1359.38   -64.2398     3634.96   -64.2398     1200.3    -64.2398     
1 1 1 -11 1  19 o 11 54.3443      2.07138     1257.34   -17.7367     2807.58   -17.7367     836.398   -17.7367     
1 1 1 -11 1  20 o 18 10.5104      0.661688    273.383   130.69       899.811   130.69       325.734   130.69       
1 1 1 -11 1  21 f 0  11.6683      0.641338    718.645   -19.3825     1082.7    -19.3825     211.726   -19.3825     
1 1 1 -11 1  22 o 17 4.46808      0.54496     269.09    -9.27902     534.975   -9.27902     149.03    -9.27902     
1 1 1 -11 1  23 o 12 18.5102      1.3657      511.388   -147.835     1785.49   -147.835     685.597   -147.835     
1 1 1 -11 1  24 o 17 7.98974      0.598411    509.055   -91.51       ?         ?            ?         ?            
1 1 1 -11 3  1  o 1  53.2831      2.37434     1513.26   -34.8552     1533      -34.8552     53.5365   -34.8552     
1 1 1 -11 3  2  o 10 7.89869      0.472846    1161.94   -87.3689     ?         ?            ?         ?            
1 1 1 -11 3  3  o 3  21.4293      0.915712    190.753   -48.3429     41.1673   131.657      108.998   131.657      
1 1 1 -11 3  4  o 6  51.9017      2.30139     1425.47   -28.2781     1734.67   -28.2781     217.782   -28.2781     
1 1 1 -11 3  5  o 3  11.6058      0.699936    940.425   -42.759      338.566   137.241      589.069   137.241      
1 1 1 -11 3  6  o 9  88.4511      2.85217     2032.88   112.204      2628.75   112.204      424.943   112.204      
1 1 1 -11 3  7  o 3  26.6839      1.19757     1242      97.3345      1036.11   97.3345      17.0744   -82.6655     
1 1 1 -11 3  8  f 0  71.6358      2.47658     1853.88   43.4966      2615.83   43.4966      516.764   43.4966      
1 1 1 -11 3  9  o 12 9.76907      0.852399    1054.76   138.656      246.609   138.656      323.549   -41.3441     
1 1 1 -11 3  10 o 19 47.3006      1.61971     1045.64   -74.7376     2492.46   -74.7376     808.09    -74.7376     
1 1 1 -11 3  11 o 5  57.7483      2.02674     1951.62   -10.9314     2441.13   -10.9314     417.207   -10.9314     
1 1 1 -11 3  12 o 14 13.6863      0.792213    446.119   -160.697     963.582   -160.697     301.662   -160.697     
1 1 1 -11 3  13 o 10 6.52623      0.447343    756.089   -51.363      322.193   -51.363      141.86    128.637      
1 1 1 -11 3  14 o 15 5.70589      0.423688    502.197   -166.097     218.86    13.903       313.983   13.903       
1 1 1 -11 3  15 o 14 12.7389      1.36225     493.316   43.2227      353.737   43.2227      32.1751   -136.777     
1 1 1 -11 3  16 o 16 13.4549      0.853691    1363.28   8.75109      571.432   8.75109      317.79    -171.249     
1 1 1 -11 3  17 o 7  33.0993      1.16303     1428.29   14.4633      1497.58   14.4633      101.294   14.4633      
1 1 1 -11 3  18 f 0  95.0764      2.74156     1453.11   -78.6229     3965.93   -78.6229     1324.92   -78.6229     
1 1 1 -11 3  19 o 10 6.53919      0.506771    676.742   -69.2456     303.477   -69.2456     153.726   110.754      
1 1 1 -11 3  20 o 12 3.51925      0.388586    104.925   -143.688     129.919   -143.688     17.0123   -143.688     
1 1 1 -11 3  21 o 9  8.36355      0.965348    527.436   -62.5189     888.688   -62.5189     204.081   -62.5189     
1 1 1 -11 3  22 o 1  2.68947      0.445995    36.9071   94.6724      50.524    94.6724      9.48747   94.6724      
1 1 1 -11 3  23 o 2  3.60249      0.481594    531.69    -129.594     475.768   -129.594     26.5885   -129.594     
1 1 1 -11 3  24 o 19 1.27252      0.40301     68.2421   -78.2514     ?         ?            ?         ?            
1 1 1 -11 5  1  o 12 52.5321      2.17447     1241.84   44.8086      1817.56   44.8086      366.823   44.8086      
1 1 1 -11 5  2  o 13 64.8169      2.4265      1587.18   40.4556      2134.82   40.4556      376.635   40.4556      
1 1 1 -11 5  3  o 7  10.4141      0.652039    840.473   -55.3214     ?         ?            ?         ?            
1 1 1 -11 5  4  o 5  84.4278      2.30618     3015.65   -178.738     2221.59   -178.738     187.114   1.26247      
1 1 1 -11 5  5  o 14 53.6387      1.84865     2305.38   142.625      1819.36   142.625      76.7925   -37.3751     
1 1 1 -11 5  6  o 9  90.1509      2.95057     2228.7    130.522      3153.25   130.522      627.765   130.522      
1 1 1 -11 5  7  o 5  1.94238      0.352947    308.825   18.2375      ?         ?            ?         ?            
1 1 1 -11 5  8  o 13 13.3288      0.733627    698.966   -57.7525     217.8     -57.7525     184.635   122.248      
1 1 1 -11 5  9  o 15 1.26544      0.199784    1234.43   118.1        ?         ?            ?         ?            
1 1 1 -11 5  10 o 5  43.8075      1.54485     1387.47   148.08       2212.56   148.08       540.989   148.08       
1 1 1 -11 5  11 o 14 12.6945      0.653454    975.388   85.6098      557.598   -94.3902     670.628   -94.3902     
1 1 1 -11 5  12 o 12 26.3342      1.15744     1495.82   73.9464      1458.06   73.9464      128.605   73.9464      
1 1 1 -11 5  13 o 16 69.8663      2.89097     1846.1    -79.3889     2828.04   -79.3889     657.801   -79.3889     
1 1 1 -11 5  14 o 16 14.4246      0.77876     549.02    -171.269     651.908   -171.269     92.2662   -171.269     
1 1 1 -11 5  15 o 6  4.55677      0.538375    366.2     -169.24      28.4823   10.7605      176.506   10.7605      
1 1 1 -11 5  16 o 4  33.3156      1.41428     1081.32   -108.561     1881.41   -108.561     450.686   -108.561     
1 1 1 -11 5  17 o 8  24.9827      1.08788     1349.07   3.17742      1371.64   3.17742      74.4842   3.17742      
1 1 1 -11 5  18 o 5  10.5607      0.724196    939.196   9.83217      733.982   9.83217      56.7412   -170.168     
1 1 1 -11 5  19 o 14 4.11481      0.482858    420.668   -109.94      61.3246   70.0602      222.353   70.0602      
1 1 1 -11 5  20 o 15 7.30239      0.929375    621.836   10.8928      570.652   10.8928      0.579211  10.8928      
1 1 1 -11 5  21 o 8  9.52483      0.592173    654.304   34.9085      1010.98   34.9085      219.593   34.9085      
1 1 1 -11 5  22 o 15 5.19145      0.490746    429.375   -159.19      749.328   -159.19      201.28    -159.19      
1 1 1 -11 5  23 o 13 1.18225      0.448664    47.7405   74.8292      ?         ?            ?         ?            
1 1 1 -11 7  1  o 6  1.99557      0.276836    776.532   -118.452     ?         ?            ?         ?            
1 1 1 -11 7  2  o 18 8.99643      0.675206    871.949   138.534      400.082   138.534      167.812   -41.4664     
1 1 1 -11 7  3  o 14 28.8         1.27737     2137.86   178.056      950.746   178.056      424.38    -1.94379     
1 1 1 -11 7  4  o 7  22.8007      1.11153     1323.89   -7.25561     1119.05   -7.25561     4.64532   -7.25561     
1 1 1 -11 7  5  o 10 15.799       0.724031    1869.61   46.4495      399.7     46.4495      578.73    -133.55      
1 1 1 -11 7  6  o 14 6.40418      0.467746    1760.84   25.9737      230.27    -154.026     841.751   -154.026     
1 1 1 -11 7  7  o 17 12.226       0.718295    576.152   -94.7037     919.488   -94.7037     224.676   -94.7037     
1 1 1 -11 7  8  o 6  10.4289      0.694164    936.324   38.4221      652.927   38.4221      51.2661   -141.578     
1 1 1 -11 7  9  o 16 4.71942      0.40195     286.656   152.459      129.116   152.459      50.3116   -27.5413     
1 1 1 -11 7  10 o 7  0.928997     0.237167    357.315   105.453      ?         ?            ?         ?            
1 1 1 -11 7  11 o 8  36.3291      2.14443     1314.89   68.4994      1905.88   68.4994      414.132   68.4994      
1 1 1 -11 7  12 f 0  5.64926      0.439447    1756.06   122.72       669.616   -57.2796     1077.84   -57.2796     
1 1 1 -11 7  13 o 3  7.57028      0.725508    422.014   -55.9367     156.535   124.063      263.436   124.063      
1 1 1 -11 7  14 o 15 18.2891      0.882602    1472.18   -68.9986     817.719   -68.9986     254.481   111.001      
1 1 1 -11 7  15 o 4  30.8415      1.40261     903.547   -153.917     1907.35   -153.917     543.359   -153.917     
1 1 1 -11 7  16 o 14 7.99366      0.76685     723.068   91.2055      591.465   91.2055      30.9922   -88.7945     
1 1 1 -11 7  17 o 18 26.3459      1.2481      982.201   -41.9178     1802.02   -41.9178     457.118   -41.9178     
1 1 1 -11 7  18 o 12 13           0.790021    737.155   -175.452     1138.33   -175.452     231.964   -175.452     
1 1 1 -11 7  19 o 19 2.71853      0.454805    377.476   31.022       261.658   31.022       41.2632   -148.978     
1 1 1 -11 7  20 o 9  2.84009      0.456412    258.685   64.8736      352.352   64.8736      64.4673   64.8736      
1 1 1 -11 7  21 o 8  0.462691     0.311077    205.927   70.2907      145.376   -109.709     155.374   -109.709     
1 1 1 -11 7  22 o 19 1.52768      0.35727     311.72    113.176      ?         ?            ?         ?            
1 1 1 -11 9  1  o 13 3.46976      0.319031    765.897   -110.048     10.7311   69.9524      313.179   69.9524      
1 1 1 -11 9  2  o 19 17.3468      0.786183    1303.88   -18.0612     1047.07   -18.0612     0.0691033 161.939      
1 1 1 -11 9  3  o 3  0.344401     0.276284    712.241   41.9227      536.312   -138.077     553.792   -138.077     
1 1 1 -11 9  4  o 8  10.7164      0.6083      1635.33   62.1224      296.543   62.1224      506.898   -117.878     
1 1 1 -11 9  5  o 1  15.9467      0.787809    927.348   -159.76      1062.63   -159.76      159.51    -159.76      
1 1 1 -11 9  6  o 1  25.9575      1.02286     2068.42   -88.1293     930.694   -88.1293     367.651   91.8707      
1 1 1 -11 9  7  o 2  16.5725      0.987403    674.942   -126.492     1177.07   -126.492     313.906   -126.492     
1 1 1 -11 9  8  o 1  3.47193      0.646891    308.897   -111.035     14.0001   68.9647      134.917   68.9647      
1 1 1 -11 9  9  o 8  4.46678      0.690312    626.547   -0.114437    58.9691   179.886      295.345   179.886      
1 1 1 -11 9  10 o 16 2.53289      0.417205    518.383   -2.45882     168.255   177.541      310.237   177.541      
1 1 1 -11 9  11 o 9  61.147       2.65531     1885.82   -49.496      2472.58   -49.496      393.593   -49.496      
1 1 1 -11 9  12 o 3  12.4454      0.79755     965.128   135.661      777.697   135.661      48.4968   -44.339      
1 1 1 -11 9  13 o 15 20.4085      1.07002     466.419   100.448      1522.93   100.448      549.803   100.448      
1 1 1 -11 9  14 o 12 18.5767      1.04429     1128.55   83.8739      1185.91   83.8739      83.3122   83.8739      
1 1 1 -11 9  15 o 16 2.34706      0.376275    552.343   -25.0575     3.51186   -25.0575     247.843   154.943      
1 1 1 -11 9  16 o 7  12.6318      0.905828    327.514   45.4249      1239.98   45.4249      470.411   45.4249      
1 1 1 -11 9  17 o 1  1.02747      0.336516    517.031   -3.40004     216.457   176.6        345.013   176.6        
1 1 1 -11 9  18 o 9  4.1727       0.467803    390.224   -95.4406     543.36    -95.4406     99.2324   -95.4406     
1 1 1 -11 9  19 f 0  7.3276       0.583197    976.094   14.9794      569.656   14.9794      117.49    -165.021     
1 1 1 -11 9  20 o 9  0.332329     0.26832     175.259   83.986       55.328    -96.014      96.6308   -96.014      
1 1 1 -11 9  21 f 0  1.38878      0.440173    225.492   172.598      ?         ?            ?         ?            
1 1 1 -11 11 1  o 5  2.78449      0.371237    259.821   80.694       86.1349   -99.306      154.381   -99.306      
1 1 1 -11 11 2  f 0  17.17        0.829641    1148.42   27.3658      935.117   27.3658      25.8557   -152.634     
1 1 1 -11 11 3  o 11 4.15         0.423305    659.059   -0.310438    74.3908   179.69       322.037   179.69       
1 1 1 -11 11 4  o 4  5.43619      0.459694    741.456   152.974      54.2826   152.974      296.103   -27.0264     
1 1 1 -11 11 5  o 11 0.535662     0.232086    644.283   5.35206      501.079   -174.648     534.447   -174.648     
1 1 1 -11 11 6  o 1  2.36995      0.272896    835.515   -28.4447     313.293   151.555      529.058   151.555      
1 1 1 -11 11 7  o 16 0.518255     0.297803    78.7774   131.366      65.879    -48.6342     68.4124   -48.6342     
1 1 1 -11 11 8  o 6  2.62997      0.380105    387.424   114.806      85.1598   -65.1944     218.209   -65.1944     
1 1 1 -11 11 9  o 10 8.61936      0.67655     1088.84   -28.45       387.901   -28.45       300.491   151.55       
1 1 1 -11 11 10 o 4  14.6556      1.05499     1209.78   101.465      796.196   101.465      149.784   -78.5355     
1 1 1 -11 11 11 o 10 17.2503      1.01261     826.761   -125.765     1321.6    -125.765     287.684   -125.765     
1 1 1 -11 11 12 o 12 6.4128       1.31322     735.247   -71.7658     481.981   -71.7658     91.1948   108.234      
1 1 1 -11 11 13 o 1  1.19206      0.552765    184.66    175.376      68.4034   -4.62356     118.305   -4.62356     
1 1 1 -11 11 14 o 12 7.83777      0.813354    382.227   58.7394      877.675   58.7394      263.453   58.7394      
1 1 1 -11 11 15 o 7  11.5396      0.919595    631.169   68.6853      1166.84   68.6853      297.235   68.6853      
1 1 1 -11 11 16 o 9  0.976764     0.431744    350.815   -133.089     17.277    46.9107      160.59    46.9107      
1 1 1 -11 11 17 o 4  5.38192      0.56031     950.778   -80.3088     422.317   -80.3088     176.027   99.6912      
1 1 1 -11 11 18 o 5  0.99795      0.411239    489.678   -30.7903     26.0992   149.21       205.377   149.21       
1 1 1 -11 11 19 o 17 0.268394     0.356135    347.016   -136.463     ?         ?            ?         ?            
1 1 1 -11 13 1  o 16 4.62729      0.532291    678.35    -13.5076     142.536   -13.5076     235.715   166.492      
1 1 1 -11 13 2  o 4  1.01712      0.282436    714.188   157.895      452.413   -22.1046     549.285   -22.1046     
1 1 1 -11 13 3  o 3  15.5588      0.804536    400.288   178.89       1236.75   178.89       437.436   178.89       
1 1 1 -11 13 4  o 18 1.72292      0.379709    193.224   45.0991      60.8333   -134.901     117.672   -134.901     
1 1 1 -11 13 5  o 18 2.72086      0.408591    495.323   -76.8277     57.3306   103.172      252.151   103.172      
1 1 1 -11 13 6  o 6  6.4577       0.59601     884.444   -22.8904     342.227   -22.8904     227.96    157.11       
1 1 1 -11 13 7  o 15 2.55532      0.348935    579.156   80.7359      16.1881   -99.2641     269.923   -99.2641     
1 1 1 -11 13 8  o 15 3.55686      0.492928    866.148   -118.696     69.9027   -118.696     358.393   61.3042      
1 1 1 -11 13 9  o 19 4.15795      0.540529    264.128   -175.016     320.971   -175.016     39.7828   -175.016     
1 1 1 -11 13 10 o 16 9.28893      0.711022    728.796   38.1419      852.05    38.1419      91.6089   38.1419      
1 1 1 -11 13 11 o 3  2.29586      0.670159    436.685   33.0689      140.197   33.0689      129.119   -146.931     
1 1 1 -11 13 12 o 14 1.6801       0.41323     288.317   142.241      132.382   142.241      62.168    -37.7591     
1 1 1 -11 13 13 o 19 2.99592      0.467865    634.35    65.2317      273.672   65.2317      133.339   -114.768     
1 1 1 -11 13 14 o 2  3.69206      0.601646    198.924   -55.3616     533.383   -55.3616     185.992   -55.3616     
1 1 1 -11 13 15 o 5  0.274157     0.337089    334.657   -84.2413     195.763   95.7587      229.64    95.7587      
1 1 1 -11 13 16 o 2  1.37332      0.916637    428.82    -99.8185     ?         ?            ?         ?            
1 1 1 -11 13 17 o 8  1.89929      1.20558     117.687   150.909      ?         ?            ?         ?            
1 1 1 -11 15 1  o 12 0.509643     0.317297    235.962   171.097      152.611   -8.90289     184.021   -8.90289     
1 1 1 -11 15 2  o 9  2.03199      0.389497    154.528   -37.8013     107.992   -37.8013     16.4605   142.199      
1 1 1 -11 15 3  o 10 1.47874      0.451257    106.277   148.659      33.5174   148.659      31.5537   -31.341      
1 1 1 -11 15 4  o 3  0.208504     0.258505    239.07    -21.3712     ?         ?            ?         ?            
1 1 1 -11 15 5  o 11 -0.0218846   0.198784    270.007   126.046      ?         ?            ?         ?            
1 1 1 -11 15 6  o 3  1.50976      0.320155    480.55    123.412      50.882    123.412      186.301   -56.5883     
1 1 1 -11 15 7  o 14 0.178527     0.224573    246.009   -52.439      194.437   127.561      203.222   127.561      
1 1 1 -11 15 8  f 0  3.1891       0.502923    300.211   -122.471     479.345   -122.471     113.885   -122.471     
1 1 1 -11 15 9  o 17 0.960816     0.483629    260.362   -23.1803     20.1911   -23.1803     95.8561   156.82       
1 1 1 -11 15 10 o 9  2.1366       0.573849    291.905   -103.81      334.559   -103.81      51.23     -103.81      
1 1 1 -11 15 11 o 19 0.834058     0.471314    234.668   19.988       49.3203   19.988       67.2556   -160.012     
1 1 1 -11 15 12 o 4  1.23168      0.520423    223.253   86.7687      154.488   86.7687      8.47281   -93.2313     
1 1 1 -11 15 13 o 10 1.3171       0.4015      119.359   -172.901     ?         ?            ?         ?            
1 1 1 -11 17 1  o 5  0.205553     0.376211    133.201   -141.935     32.1358   38.0654      67.6537   38.0654      
1 1 1 -11 17 2  o 4  0.553688     0.348231    259.831   -143.934     5.44087   -143.934     97.7165   36.0656      
1 1 1 -11 17 3  o 8  0.0873574    0.311686    312.719   -47.0337     ?         ?            ?         ?            
1 1 1 -11 17 4  o 19 0.710325     0.378109    190.382   168.085      69.2563   168.085      38.0794   -11.9154     
1 1 1 -11 17 5  o 13 0.251254     0.253446    162.665   138.983      34.0139   -41.0171     78.4463   -41.0171     
1 1 1 -11 17 6  o 1  0.250472     0.315721    255.585   -117.511     ?         ?            ?         ?            
1 1 1 -10 0  1  o 16 141.192      4.39131     1999.16   180          4691.06   180          1387.11   180          
1 1 1 -10 0  2  o 8  0.696751     0.644646    440.008   0            ?         ?            ?         ?            
1 1 1 -10 0  3  o 10 313.755      10.8565     4098.04   0            5926.1    0            985.635   0            
1 1 1 -10 0  4  f 0  12.657       0.782811    1352.59   180          909.718   2.98851e-15  1103.45   1.23191e-15  
1 1 1 -10 0  5  o 18 13.6615      1.0574      745.315   0            18.7799   0            341.244   180          
1 1 1 -10 0  6  o 7  55.6788      2.85376     932.629   180          68.4797   180          391.94    8.24267e-15  
1 1 1 -10 0  7  o 6  164.297      9.24978     2744.6    0            4674.96   0            1121.06   0            
1 1 1 -10 0  8  o 19 24.8138      4.06065     753.724   0            572.803   0            39.9563   180          
1 1 1 -10 0  9  f 0  38.1437      5.40616     1110.92   0            1675.94   0            363.256   0            
1 1 1 -10 0  10 o 13 64.6346      3.35438     2779.94   0            2067.89   0            143.998   180          
1 1 1 -10 0  11 o 15 0.266453     0.18072     740.992   0            ?         ?            ?         ?            
1 1 1 -10 0  12 o 14 4.68573      0.619852    803.668   0            196.694   0            231.237   180          
1 1 1 -10 0  13 o 14 10.1169      0.724808    583.749   0            776.991   0            153.669   0            
1 1 1 -10 0  14 o 9  25.9739      1.49645     719.09    180          2091.3    180          756.851   180          
1 1 1 -10 0  15 o 18 118.139      4.01588     3108.98   180          3214.4    180          324.586   180          
1 1 1 -10 0  16 o 6  6.82336      0.780765    677.643   180          ?         ?            ?         ?            
1 1 1 -10 0  17 o 5  0.99461      0.345482    423.015   180          ?         ?            ?         ?            
1 1 1 -10 0  18 o 14 45.5891      2.33389     1334.37   180          2466.36   180          627.269   180          
1 1 1 -10 0  19 o 11 50.6007      2.59068     2020.07   180          2119.78   180          148.142   180          
1 1 1 -10 0  20 o 10 5.56224      0.577492    663.319   0            297.291   180          449.719   180          
1 1 1 -10 0  21 o 19 7.59991      0.968464    118.476   180          348.766   180          120.028   180          
1 1 1 -10 0  22 o 17 10.7819      0.909251    93.4194   180          720.849   180          319.187   180          
1 1 1 -10 0  23 o 5  81.8921      3.52028     1639.1    0            3648.34   0            1158.71   0            
1 1 1 -10 0  24 o 8  -0.699911    0.445972    50.4433   180          ?         ?            ?         ?            
1 1 1 -10 2  1  o 15 133.345      3.66085     2681.62   127.152      3425.14   127.152      419.702   127.152      
1 1 1 -10 2  2  o 11 32.9896      1.27827     1090.33   70.2609      1034.81   70.2609      7.21899   -109.739     
1 1 1 -10 2  3  o 15 55.6222      2.08071     1196.47   10.6524      1786.25   10.6524      321.36    10.6524      
1 1 1 -10 2  4  o 19 25.3821      1.11462     1441.02   67.3827      182.361   -112.617     769.62    -112.617     
1 1 1 -10 2  5  f 0  15.5689      0.756448    1551.42   78.8964      139.498   -101.104     783.403   -101.104     
1 1 1 -10 2  6  o 9  89.4934      3.36423     2021.43   38.02        2744.41   38.02        467.363   38.02        
1 1 1 -10 2  7  o 8  28.1503      1.13252     1010.64   -124.433     344.89    -124.433     269.032   55.5667      
1 1 1 -10 2  8  o 9  2.87439      0.27587     1378.85   96.3775      ?         ?            ?         ?            
1 1 1 -10 2  9  o 14 36.4326      1.40275     1742.95   111.997      1252.76   111.997      115.607   -68.0033     
1 1 1 -10 2  10 o 18 43.0461      1.64495     1580.17   115.341      2057.36   115.341      361.832   115.341      
1 1 1 -10 2  11 o 5  4.63561      0.336358    543.139   58.8197      13.1197   -121.18      232.352   -121.18      
1 1 1 -10 2  12 o 1  59.3784      2.10143     1599.74   36.725       2813.57   36.725       755.43    36.725       
1 1 1 -10 2  13 o 4  8.17034      0.414594    642.282   164.254      327.04    164.254      94.0457   -15.7463     
1 1 1 -10 2  14 o 5  16.3923      1.2524      1141.54   -64.4744     858.272   -64.4744     31.4556   115.526      
1 1 1 -10 2  15 o 15 31.6902      1.21388     1739.99   -150.745     1163.52   -150.745     144.123   29.2554      
1 1 1 -10 2  16 o 10 5.55731      0.487709    388.08    90.9597      124.501   90.9597      107.332   -89.0403     
1 1 1 -10 2  17 o 10 15.4687      0.867031    1049.95   40.5498      868.109   40.5498      39.9528   -139.45      
1 1 1 -10 2  18 o 11 7.6218       0.546923    348.58    -90.9644     241.735   -90.9644     37.2786   89.0356      
1 1 1 -10 2  19 o 8  14.6582      0.728326    897.31    -78.1092     1039.39   -78.1092     114.894   -78.1092     
1 1 1 -10 2  20 o 19 1.45452      0.403165    490.122   36.1573      213.764   -143.843     330.019   -143.843     
1 1 1 -10 2  21 o 16 40.1162      1.51694     982.948   -174.105     2517.03   -174.105     808.391   -174.105     
1 1 1 -10 2  22 o 19 7.95969      0.667517    268.057   -133.016     1002.1    -133.016     384.362   -133.016     
1 1 1 -10 2  23 o 17 2.04837      0.461533    320.431   -27.8867     163.253   -27.8867     47.0364   152.113      
1 1 1 -10 2  24 o 17 0.298498     0.329711    212.867   145.095      ?         ?            ?         ?            
1 1 1 -10 4  1  o 11 182.846      5.93643     3925.2    129.679      3656.46   129.679      39.7509   129.679      
1 1 1 -10 4  2  o 9  56.8474      2.01696     1662.28   -56.6338     329.712   -56.6338     588.487   123.366      
1 1 1 -10 4  3  o 19 22.8013      0.991391    1377.99   -68.0703     214.29    111.93       725.208   111.93       
1 1 1 -10 4  4  o 18 106.578      3.13834     2712.32   165.83       2557.27   165.83       78.7085   165.83       
1 1 1 -10 4  5  o 16 193.964      5.64175     3806.23   24.5304      3668.03   24.5304      174.274   24.5304      
1 1 1 -10 4  6  o 1  30.5848      1.33267     1475.8    94.6288      1171.6    94.6288      49.949    -85.3712     
1 1 1 -10 4  7  o 5  18.3012      0.856746    1070.61   163.605      767.768   163.605      73.4119   -16.3953     
1 1 1 -10 4  8  o 9  10.9505      0.681401    995.422   -145.984     440.355   -145.984     202.251   34.016       
1 1 1 -10 4  9  o 10 0.755868     0.179635    1255.11   163.763      961.425   -16.2374     1008.71   -16.2374     
1 1 1 -10 4  10 o 17 27.4722      1.28557     809.257   151.191      1707.03   151.191      518.031   151.191      
1 1 1 -10 4  11 o 15 70.1212      2.31291     2161.61   135.247      2542.77   135.247      392.072   135.247      
1 1 1 -10 4  12 o 17 8.32113      0.5826      1019.66   102.078      5.28689   -77.9217     411.66    -77.9217     
1 1 1 -10 4  13 o 11 46.7749      1.52258     1672.75   132.433      2195.41   132.433      424.179   132.433      
1 1 1 -10 4  14 o 7  20.4773      0.992305    1391.81   -85.7383     1077.43   -85.7383     37.6607   94.2617      
1 1 1 -10 4  15 o 10 112.878      2.92937     2619.38   -133.814     3514.56   -133.814     624.377   -133.814     
1 1 1 -10 4  16 o 6  77.3392      2.71556     1711.34   132.26       3039.93   132.26       752.193   132.26       
1 1 1 -10 4  17 o 16 22.421       1.07499     1532.97   98.3421      1070.61   98.3421      160.868   -81.6579     
1 1 1 -10 4  18 o 12 65.5979      2.72498     1325.55   -0.570941    3095.54   -0.570941    949.053   -0.570941    
1 1 1 -10 4  19 f 0  26.16        1.10105     823.107   10.7538      1793.44   10.7538      524.069   10.7538      
1 1 1 -10 4  20 o 5  0.787939     0.37404     635.466   1.76153      ?         ?            ?         ?            
1 1 1 -10 4  21 o 5  16.0062      0.812735    859.398   -34.672      1317.92   -34.672      272.982   -34.672      
1 1 1 -10 4  22 o 12 9.45229      0.700996    661.01    2.9506       1050.23   2.9506       250.301   2.9506       
1 1 1 -10 4  23 o 4  3.52735      0.471742    206.745   -45.2765     504.646   -45.2765     171.051   -45.2765     
1 1 1 -10 4  24 o 2  -0.315218    0.229234    416.71    177.038      ?         ?            ?         ?            
1 1 1 -10 6  1  o 3  37.8397      1.92084     1969.32   12.5296      1235.95   12.5296      224.763   -167.47      
1 1 1 -10 6  2  o 10 67.3398      2.1705      2648.11   -84.833      2014.9    -84.833      124.484   95.167       
1 1 1 -10 6  3  f 0  44.7403      1.45428     885.381   -24.6689     1845.8    -24.6689     545.223   -24.6689     
1 1 1 -10 6  4  o 6  4.30332      0.350066    285.561   -18.0073     123.587   161.993      183.271   161.993      
1 1 1 -10 6  5  o 16 9.95647      0.581268    906.423   -34.6816     332.703   -34.6816     217.862   145.318      
1 1 1 -10 6  6  o 4  20.5036      1.06129     1343.7    -97.354      985.598   -97.354      73.7378   82.646       
1 1 1 -10 6  7  o 7  9.87085      0.711843    248.2     -22.5508     49.3251   -22.5508     79.096    157.449      
1 1 1 -10 6  8  o 5  2.76858      0.355113    390.313   16.2791      141.207   -163.721     231.732   -163.721     
1 1 1 -10 6  9  o 17 25.2934      1.15738     1173.47   -37.8661     1560.03   -37.8661     302.842   -37.8661     
1 1 1 -10 6  10 o 10 6.54717      0.429969    955.996   -48.8093     178.944   -48.8093     294.521   131.191      
1 1 1 -10 6  11 o 19 47.6413      1.69138     1467.19   -113.173     2461.62   -113.173     642.229   -113.173     
1 1 1 -10 6  12 o 7  9.106        0.603135    1211.75   127.366      207.546   -52.6342     598.053   -52.6342     
1 1 1 -10 6  13 o 15 108.601      3.61208     2858.01   84.3404      3240.85   84.3404      414.364   84.3404      
1 1 1 -10 6  14 o 10 47.2322      2.1232      1887.08   -23.7942     1666.14   -23.7942     4.59387   -23.7942     
1 1 1 -10 6  15 f 0  32.3459      1.44168     1282.26   -148.679     1689.32   -148.679     265.989   -148.679     
1 1 1 -10 6  16 o 19 73.7627      2.5769      1514.77   168.156      3186.07   168.156      905.378   168.156      
1 1 1 -10 6  17 o 14 3.10536      0.401021    331.57    140.959      22.8635   140.959      138.238   -39.0413     
1 1 1 -10 6  18 o 12 3.4737       0.69175     240.186   -68.4876     150.146   -68.4876     33.7502   111.512      
1 1 1 -10 6  19 o 15 4.1675       0.497585    449.978   131.733      400.991   131.733      5.90552   -48.2667     
1 1 1 -10 6  20 o 18 0.832791     0.32699     81.3956   -106.635     33.9692   73.3651      53.6198   73.3651      
1 1 1 -10 6  21 o 12 3.06366      0.378944    498.346   -174.631     380.88    -174.631     18.2501   5.36924      
1 1 1 -10 6  22 o 17 2.87749      0.485462    366.136   14.8928      463.003   14.8928      87.0032   14.8928      
1 1 1 -10 6  23 o 12 0.636402     0.301759    344.634   71.6541      ?         ?            ?         ?            
1 1 1 -10 8  1  o 13 15.7767      0.74014     500.626   -9.94471     907.942   -9.94471     246.931   -9.94471     
1 1 1 -10 8  2  f 0  5.23268      0.597097    1030.69   136.985      109.015   136.985      370.961   -43.0149     
1 1 1 -10 8  3  o 19 21.7097      0.879186    1516.78   -119.906     1165.36   -119.906     41.0716   60.0938      
1 1 1 -10 8  4  o 12 12.4035      0.659198    450.568   95.0776      790.271   95.0776      210.899   95.0776      
1 1 1 -10 8  5  o 7  0.554228     0.166072    549.741   103.577      440.484   -76.4229     443.422   -76.4229     
1 1 1 -10 8  6  f 0  4.01999      0.699498    732.018   -157.293     15.3408   -157.293     287.317   22.7066      
1 1 1 -10 8  7  o 13 39.822       1.5201      1209.7    51.968       2314      51.968       672.044   51.968       
1 1 1 -10 8  8  o 6  18.3279      0.979395    1330.91   6.75199      1053.87   6.75199      6.93944   -173.248     
1 1 1 -10 8  9  o 4  5.88011      0.614456    996.638   -164.528     132.951   -164.528     337.423   15.4724      
1 1 1 -10 8  10 o 1  5.35461      0.893303    363.921   168.613      68.7258   168.613      116.372   -11.3872     
1 1 1 -10 8  11 o 7  28.8148      1.52451     976.095   -130.793     1792.78   -130.793     479.385   -130.793     
1 1 1 -10 8  12 o 9  3.19704      0.406383    479.716   157.832      206.692   -22.1679     314.982   -22.1679     
1 1 1 -10 8  13 o 19 9.49346      0.738322    880.889   113.056      332.194   113.056      231.375   -66.944      
1 1 1 -10 8  14 o 3  2.50259      0.475253    80.7275   71.1977      15.4114   -108.802     44.365    -108.802     
1 1 1 -10 8  15 f 0  4.77269      0.441411    187.952   -130.815     117.007   -130.815     26.4487   49.1853      
1 1 1 -10 8  16 o 2  4.94398      0.656216    253.212   116.34       313.445   116.34       42.3677   116.34       
1 1 1 -10 8  17 o 16 3.3328       0.425755    417.698   100.619      212.173   100.619      84.6122   -79.3807     
1 1 1 -10 8  18 o 17 2.5342       0.368661    374.528   -57.3988     139.349   -57.3988     101.766   122.601      
1 1 1 -10 8  19 o 9  6.93855      0.535048    638.716   -164.159     762.7     -164.159     100.719   -164.159     
1 1 1 -10 8  20 o 6  0.337323     0.405846    66.1249   -68.2589     32.2005   111.741      43.0943   111.741      
1 1 1 -10 8  21 o 17 0.644791     0.352856    58.9406   112.147      10.7175   112.147      17.7213   -67.8532     
1 1 1 -10 8  22 o 11 2.4878       0.526488    389.576   -140.269     ?         ?            ?         ?            
1 1 1 -10 10 1  o 15 3.54362      0.337073    348.837   175.664      50.2488   -4.33642     166.178   -4.33642     
1 1 1 -10 10 2  o 9  15.1739      1.5485      1416.31   145.392      674.069   145.392      236.636   -34.6079     
1 1 1 -10 10 3  o 16 26.1881      1.35084     1591.27   -105.881     1354.63   -105.881     30.2691   -105.881     
1 1 1 -10 10 4  o 6  8.14588      0.591251    870.655   -40.2209     364.536   -40.2209     174.18    139.779      
1 1 1 -10 10 5  o 6  1.81655      0.283943    1063.87   -41.0844     517.164   138.916      698.768   138.916      
1 1 1 -10 10 6  o 17 2.28166      0.257937    1239.58   139.292      567.938   -40.7081     804.58    -40.7081     
1 1 1 -10 10 7  o 6  8.30863      0.590532    583.724   93.2672      305.837   93.2672      96.9279   -86.7328     
1 1 1 -10 10 8  o 17 18.3287      1.27706     1310.2    -13.0292     843.789   -13.0292     150.855   166.971      
1 1 1 -10 10 9  o 7  10.7072      0.836626    389.377   91.1169      501.398   91.1169      77.1075   91.1169      
1 1 1 -10 10 10 o 2  5.85768      1.12721     242.59    -51.6181     116.909   -51.6181     51.1921   128.382      
1 1 1 -10 10 11 o 11 3.03483      0.434467    812.819   47.358       269.122   -132.642     503.689   -132.642     
1 1 1 -10 10 12 o 13 12.7301      0.829004    613.764   90.8524      1027.69   90.8524      235.925   90.8524      
1 1 1 -10 10 13 o 13 2.35146      0.489978    769.702   -88.0785     130.924   91.9215      412.713   91.9215      
1 1 1 -10 10 14 o 1  1.65218      0.807145    352.121   -172.806     97.6328   7.19438      208.288   7.19438      
1 1 1 -10 10 15 o 2  0.581796     0.287557    378.807   167.838      324.276   -12.1617     335.514   -12.1617     
1 1 1 -10 10 16 o 2  5.98461      0.591381    804.527   28.18        501.446   28.18        117.02    -151.82      
1 1 1 -10 10 17 o 18 1.59397      0.460283    406.492   84.0635      100.623   84.0635      128.601   -95.9365     
1 1 1 -10 10 18 o 19 1.40764      0.352897    830.185   -119.772     198.457   60.2276      441.131   60.2276      
1 1 1 -10 10 19 o 13 -0.0218027   0.150048    189.06    -168.362     ?         ?            ?         ?            
1 1 1 -10 10 20 o 8  -0.0117375   0.262651    311.383   92.3825      ?         ?            ?         ?            
1 1 1 -10 12 1  o 8  8.80525      0.629292    858.642   151.545      475.752   151.545      149.076   -28.4547     
1 1 1 -10 12 2  o 14 9.92562      0.669985    1075.19   105.486      322.776   105.486      323.731   -74.5136     
1 1 1 -10 12 3  o 10 6.71427      0.407047    770.542   -0.377834    261.616   -0.377834    217.588   179.622      
1 1 1 -10 12 4  o 5  20.8755      0.890836    1632.45   -82.2625     869.19    -82.2625     305.241   97.7375      
1 1 1 -10 12 5  o 3  6.69661      0.494757    864.859   120.003      155.173   120.003      315.042   -59.9966     
1 1 1 -10 12 6  o 18 5.80474      0.940199    295.015   106.809      242.019   106.809      12.9477   -73.1907     
1 1 1 -10 12 7  o 5  5.86067      0.468475    473.074   -175.698     293.203   -175.698     67.8482   4.30208      
1 1 1 -10 12 8  o 5  1.26758      0.321512    369.822   -78.9843     199.146   101.016      266.741   101.016      
1 1 1 -10 12 9  o 10 4.78029      0.556314    550.133   54.1633      323.499   54.1633      86.4391   -125.837     
1 1 1 -10 12 10 o 6  1.18735      0.395463    280.784   -143.575     131.548   36.4245      192.672   36.4245      
1 1 1 -10 12 11 o 12 4.83881      0.551428    468.604   57.0019      432.525   57.0019      3.05121   57.0019      
1 1 1 -10 12 12 o 1  2.13133      0.710766    415.861   110.376      63.6651   110.376      158.824   -69.6241     
1 1 1 -10 12 13 o 12 17.2977      1.03063     1101.53   -99.3691     1195.16   -99.3691     94.1893   -99.3691     
1 1 1 -10 12 14 o 16 1.82953      0.596436    254.74    23.1141      139.046   23.1141      43.6595   -156.886     
1 1 1 -10 12 15 o 9  4.49484      0.682377    728.934   86.3347      427.426   86.3347      93.3567   -93.6653     
1 1 1 -10 12 16 o 8  2.77324      0.557294    482.874   115.683      388.645   115.683      1.00387   115.683      
1 1 1 -10 12 17 o 18 1.35217      0.418065    386.077   -28.5206     194.286   -28.5206     53.4812   151.479      
1 1 1 -10 12 18 o 9  1.22932      0.893099    160.342   -133.741     ?         ?            ?         ?            
1 1 1 -10 14 1  o 2  1.71799      0.370331    170.849   81.3275      14.6723   -98.6725     84.7819   -98.6725     
1 1 1 -10 14 2  o 11 3.6621       0.487042    429.893   -113.076     272.609   -113.076     58.6992   66.9237      
1 1 1 -10 14 3  o 1  0.907256     0.283753    495.985   66.3444      321.834   -113.656     386.236   -113.656     
1 1 1 -10 14 4  o 7  0.0233542    0.219747    79.6459   131.456      ?         ?            ?         ?            
1 1 1 -10 14 5  o 4  1.98863      0.304293    560.875   -40.4585     32.6224   139.541      272.519   139.541      
1 1 1 -10 14 6  o 11 1.99059      0.324382    724.032   26.6123      164.96    -153.388     414.268   -153.388     
1 1 1 -10 14 7  o 2  0.626045     0.352845    154.71    -12.4459     ?         ?            ?         ?            
1 1 1 -10 14 8  o 18 1.83688      0.388575    780.388   20.4807      139.83    -159.519     426.572   -159.519     
1 1 1 -10 14 9  o 8  1.84671      0.488818    537.155   -99.5935     37.1452   -99.5935     223.516   80.4065      
1 1 1 -10 14 10 o 2  3.3336       0.650058    453.123   -105.33      418.31    -105.33      10.5012   -105.33      
1 1 1 -10 14 11 o 18 3.60341      0.526513    404.989   161.443      475.444   161.443      67.0421   161.443      
1 1 1 -10 14 12 o 15 1.28453      0.385384    402.945   -21.8143     81.3527   -21.8143     122.467   158.186      
1 1 1 -10 14 13 o 8  1.24731      0.3841      316.59    -92.7836     144.502   -92.7836     52.6237   87.2164      
1 1 1 -10 14 14 o 3  0.190432     0.335067    382.719   94.2161      162.267   -85.7839     229.18    -85.7839     
1 1 1 -10 14 15 o 4  0.274707     0.366171    127.867   3.09892      ?         ?            ?         ?            
1 1 1 -10 16 1  o 13 0.170562     0.293577    470.572   -50.4278     324.945   129.572      358.589   129.572      
1 1 1 -10 16 2  f 0  0.345022     0.367862    417.028   11.9242      211.719   -168.076     279.013   -168.076     
1 1 1 -10 16 3  o 3  1.07803      0.323877    310.217   -81.0499     62.2575   -81.0499     96.7247   98.9501      
1 1 1 -10 16 4  f 0  0.717046     0.333836    296.857   146.524      201.295   -33.4758     221.723   -33.4758     
1 1 1 -10 16 5  o 11 1.92854      0.326397    382.172   -45.1368     280.429   -45.1368     13.767    134.863      
1 1 1 -10 16 6  o 16 0.529712     0.281549    332.56    114.564      118.726   -65.4364     191.753   -65.4364     
1 1 1 -10 16 7  o 2  1.43809      0.332364    209.966   178.922      215.519   178.922      25.0155   178.922      
1 1 1 -10 16 8  o 7  0.302058     0.308693    318.722   -26.9308     110.455   153.069      179.668   153.069      
1 1 1 -10 16 9  o 11 0.320392     0.312554    142.054   4.88287      18.911    -175.117     64.0799   -175.117     
1 1 1 -10 16 10 o 16 0.739995     0.382209    351.662   114.673      ?         ?            ?         ?            
1 1 1 -9  1  1  o 4  3.44471      0.248724    1083.12   -48.948      ?         ?            ?         ?            
1 1 1 -9  1  2  o 8  34.9761      1.23261     1357.55   -174.874     999.454   -174.874     153.93    5.12642      
1 1 1 -9  1  3  o 8  25.125       0.932208    457.4     135.656      310.556   135.656      65.4111   -44.3441     
1 1 1 -9  1  4  o 19 58.9852      1.83961     1054.12   98.2679      1745.82   98.2679      367.911   98.2679      
1 1 1 -9  1  5  o 11 23.6805      1.17099     1290.01   157.053      103.755   -22.9465     657.718   -22.9465     
1 1 1 -9  1  6  o 15 6.54233      0.456668    860.122   -128.853     637.536   51.1467      711.007   51.1467      
1 1 1 -9  1  7  o 18 15.2403      0.762914    1554.55   44.5167      673.479   -135.483     1024.51   -135.483     
1 1 1 -9  1  8  o 6  24.9221      1.24867     1100.15   -60.0755     119.182   -60.0755     416.243   119.924      
1 1 1 -9  1  9  o 2  257.483      6.69451     3733.42   -5.81773     5415.57   -5.81773     1113.35   -5.81773     
1 1 1 -9  1  10 o 9  32.4488      1.15922     1704.23   53.9313      1456.35   53.9313      6.44588   53.9313      
1 1 1 -9  1  11 o 6  3.6023       0.39779     328.307   179.021      110.045   -0.979217    192.261   -0.979217    
1 1 1 -9  1  12 o 4  3.53358      0.345884    973.553   -129.858     544.314   50.142       670.886   50.142       
1 1 1 -9  1  13 o 9  2.01007      0.347418    742.235   156.196      283.405   -23.8039     440.059   -23.8039     
1 1 1 -9  1  14 o 18 19.5789      0.921097    1288.66   62.9827      1184.49   62.9827      74.2985   62.9827      
1 1 1 -9  1  15 o 19 11.8206      0.533404    853.463   -25.645      724.564   -25.645      9.34921   -25.645      
1 1 1 -9  1  16 o 13 12.9762      0.593242    472.958   -158.6       370.564   -158.6       19.6231   21.4         
1 1 1 -9  1  17 o 6  7.23263      0.584432    299.543   127.901      40.1987   -52.0994     154.826   -52.0994     
1 1 1 -9  1  18 o 7  7.69794      0.532403    517.951   66.3093      114.346   66.3093      177.982   -113.691     
1 1 1 -9  1  19 o 13 3.11692      0.485699    733.065   171.355      402.016   -8.64548     531.805   -8.64548     
1 1 1 -9  1  20 o 6  16.2018      0.834822    1043.78   -120.191     1103.4    -120.191     77.5329   -120.191     
1 1 1 -9  1  21 o 17 18.2472      0.914179    739.582   171.486      1448.54   171.486      385.082   171.486      
1 1 1 -9  1  22 o 16 16.6864      0.944273    813.656   118.294      1422.86   118.294      353.806   118.294      
1 1 1 -9  1  23 o 18 3.74391      0.555005    551.034   121.351      476.381   121.351      15.3525   121.351      
1 1 1 -9  1  24 o 15 3.97909      0.501511    542.734   12.7421      ?         ?            ?         ?            
1 1 1 -9  3  1  o 19 18.9893      0.85457     1309      -110.683     ?         ?            ?         ?            
1 1 1 -9  3  2  o 9  235.831      7.113       3492.55   136.341      4866.29   136.341      780.268   136.341      
1 1 1 -9  3  3  o 9  0.888086     0.178162    697.558   -79.8662     ?         ?            ?         ?            
1 1 1 -9  3  4  o 8  68.7853      2.53746     2096.91   62.6037      2068.23   62.6037      70.1964   62.6037      
1 1 1 -9  3  5  o 17 142.465      4.75079     2548.92   129.789      3469.48   129.789      588.983   129.789      
1 1 1 -9  3  6  o 6  60.3454      2.14195     1706.49   -167.382     2045.49   -167.382     272.674   -167.382     
1 1 1 -9  3  7  o 4  14.4159      0.760511    1539.73   -24.5064     ?         ?            ?         ?            
1 1 1 -9  3  8  o 2  17.7537      0.788033    853.269   -118.915     687.87    -118.915     20.6144   61.085       
1 1 1 -9  3  9  o 16 6.25857      0.670987    1150.38   -56.5238     156.27    123.476      565.948   123.476      
1 1 1 -9  3  10 o 16 2.93841      0.869593    529.284   -110.327     430.642   69.6728      437.387   69.6728      
1 1 1 -9  3  11 o 17 39.9086      1.59501     2017.15   133.385      1716.08   133.385      26.4935   133.385      
1 1 1 -9  3  12 o 12 29.7538      0.951829    1010.23   116.693      1878.91   116.693      531.178   116.693      
1 1 1 -9  3  13 o 3  12.5695      0.605158    343.413   34.0462      686.889   34.0462      205.858   34.0462      
1 1 1 -9  3  14 o 15 18.3348      0.845084    918.686   78.1025      1182.11   78.1025      217.209   78.1025      
1 1 1 -9  3  15 o 10 25.381       1.65072     1144.49   -76.8662     1352.27   -76.8662     191.651   -76.8662     
1 1 1 -9  3  16 o 2  60.5184      2.13464     2074.9    -150.678     2105      -150.678     134.433   -150.678     
1 1 1 -9  3  17 o 12 33.7191      1.40351     782.298   149.371      1746.62   149.371      518.686   149.371      
1 1 1 -9  3  18 o 18 12.4999      0.714774    306.786   138.029      624.116   138.029      173.13    138.029      
1 1 1 -9  3  19 o 1  3.49261      0.440479    288.089   -12.4315     22.0463   167.568      141.063   167.568      
1 1 1 -9  3  20 o 11 1.17347      0.301945    244.755   -48.5056     ?         ?            ?         ?            
1 1 1 -9  3  21 o 7  4.75866      0.806182    441.372   15.0993      487.673   15.0993      42.8804   15.0993      
1 1 1 -9  3  22 o 15 8.79774      0.641532    83.903    46.6931      651.232   46.6931      289.819   46.6931      
1 1 1 -9  3  23 o 6  2.94849      0.463562    237.857   115.848      450.451   115.848      130.798   115.848      
1 1 1 -9  3  24 o 5  6.50822      0.569348    395.419   -65.9221     ?         ?            ?         ?            
1 1 1 -9  5  1  f 0  29.6238      1.61426     1223.58   -117.781     910.268   -117.781     82.2118   62.2193      
1 1 1 -9  5  2  f 0  19.633       1.06224     1481.95   155.17       658.145   -24.83       977.561   -24.83       
1 1 1 -9  5  3  o 10 58.3692      2.09478     1512.56   -137.89      2284.36   -137.89      484.422   -137.89      
1 1 1 -9  5  4  o 14 3.77035      0.265965    1042.74   -59.7551     ?         ?            ?         ?            
1 1 1 -9  5  5  o 2  73.7302      2.35315     1655.81   113.889      2727.89   113.889      654.124   113.889      
1 1 1 -9  5  6  o 8  23.4021      0.934971    767.792   123.804      1180.75   123.804      263.102   123.804      
1 1 1 -9  5  7  o 6  11.3722      1.14143     704.601   86.802       421.618   86.802       87.8974   -93.198      
1 1 1 -9  5  8  o 12 0.948791     0.154997    178.701   -22.3114     ?         ?            ?         ?            
1 1 1 -9  5  9  o 1  24.36        1.13421     1474.27   -131.894     1065.3    -131.894     79.4138   48.1062      
1 1 1 -9  5  10 o 13 7.23044      0.45776     489.548   -19.3251     376.38    -19.3251     11.5805   160.675      
1 1 1 -9  5  11 o 15 9.08014      0.662184    1274.31   -50.9675     333.139   -50.9675     345.701   129.032      
1 1 1 -9  5  12 o 15 19.5093      0.945898    1080.93   -164.481     1231.29   -164.481     181.969   -164.481     
1 1 1 -9  5  13 o 7  20.8117      1.03345     1208.05   -41.8703     1204.28   -41.8703     107.943   -41.8703     
1 1 1 -9  5  14 o 8  2.71852      0.354282    698.394   70.3539      302.886   -109.646     448.305   -109.646     
1 1 1 -9  5  15 o 9  1.8044       0.330011    695.513   30.567       602.915   -149.433     609.409   -149.433     
1 1 1 -9  5  16 o 4  4.47322      0.504042    208.312   99.7988      57.6666   99.7988      65.5536   -80.2012     
1 1 1 -9  5  17 o 11 3.8827       0.467675    583.887   -179.06      136.08    0.940087     332.641   0.940087     
1 1 1 -9  5  18 o 2  39.7733      1.43777     1771.45   166.086      1798.65   166.086      100.108   166.086      
1 1 1 -9  5  19 o 15 2.60964      0.523993    406.253   -161.635     117.298   -161.635     126.49    18.3647      
1 1 1 -9  5  20 o 8  4.79025      0.819188    735.122   157.795      373.01    157.795      150.058   -22.2051     
1 1 1 -9  5  21 o 18 5.53228      0.462083    298.137   59.623       552.054   59.623       145.919   59.623       
1 1 1 -9  5  22 o 5  10.6291      0.643931    442.82    -61.0927     1315.44   -61.0927     479.135   -61.0927     
1 1 1 -9  5  23 o 2  6.05055      0.694275    521.714   4.76244      ?         ?            ?         ?            
1 1 1 -9  7  1  o 14 51.4233      1.75942     2185.06   114.109      1912.31   114.109      31.532    114.109      
1 1 1 -9  7  2  o 12 29.3341      1.23552     2055.34   -18.5673     1081.6    -18.5673     327.997   161.433      
1 1 1 -9  7  3  o 11 24.7298      1.10501     1918.96   92.4832      928.885   92.4832      344.84    -87.5168     
1 1 1 -9  7  4  o 8  4.45218      0.334656    400.974   -81.3193     20.9651   -81.3193     157.951   98.6807      
1 1 1 -9  7  5  o 12 6.24302      0.577479    869.765   -79.8918     127.042   100.108      426.601   100.108      
1 1 1 -9  7  6  o 1  2.51431      0.405551    502.702   55.2744      306.046   -124.726     360.98    -124.726     
1 1 1 -9  7  7  o 19 4.42686      0.428235    892.11    94.7174      58.9098   94.7174      335.334   -85.2826     
1 1 1 -9  7  8  o 3  33.795       1.67922     1699.34   -117.265     1659.69   -117.265     143.27    -117.265     
1 1 1 -9  7  9  o 2  10.1369      0.694515    1161.23   73.0464      557.965   73.0464      186.515   -106.954     
1 1 1 -9  7  10 o 2  22.0067      1.00414     1146.12   107.649      1272.88   107.649      175.854   107.649      
1 1 1 -9  7  11 o 9  21.9994      1.22803     1390.04   -31.4116     1186.93   -31.4116     24.9185   -31.4116     
1 1 1 -9  7  12 o 10 26.2439      1.19327     1244.74   -51.2049     1409.81   -51.2049     179.304   -51.2049     
1 1 1 -9  7  13 o 18 1.96687      0.378296    262.31    -126.699     175.994   53.301       202.922   53.301       
1 1 1 -9  7  14 o 19 7.28257      0.51572     1336.44   66.0999      33.5445   66.0999      585.06    -113.9       
1 1 1 -9  7  15 o 18 38.4198      1.74154     1100.22   25.3534      2224.04   25.3534      612.379   25.3534      
1 1 1 -9  7  16 o 13 11.7908      0.79269     272.287   -81.1525     726.852   -81.1525     240.381   -81.1525     
1 1 1 -9  7  17 o 8  2.04332      0.459346    378.589   -136.699     76.9963   43.3007      209.588   43.3007      
1 1 1 -9  7  18 f 0  1.01652      0.332702    369.112   139.327      ?         ?            ?         ?            
1 1 1 -9  7  19 o 14 2.30899      0.54422     135.398   85.2279      88.171    85.2279      17.6324   -94.7721     
1 1 1 -9  7  20 o 16 2.66574      0.388855    288.894   -131.366     356.528   -131.366     53.6198   -131.366     
1 1 1 -9  7  21 o 1  2.28386      0.382496    454.776   -82.7475     324.644   -82.7475     20.129    97.2525      
1 1 1 -9  7  22 o 16 0.127578     0.271945    33.4738   159.936      ?         ?            ?         ?            
1 1 1 -9  9  1  o 11 16.629       0.705816    1960.77   122.048      554.524   122.048      512.317   -57.9521     
1 1 1 -9  9  2  o 8  9.16664      0.547141    327.581   100.311      453.548   100.311      95.0106   100.311      
1 1 1 -9  9  3  o 19 10.7206      1.19237     747.744   12.2973      761.477   12.2973      80.5339   12.2973      
1 1 1 -9  9  4  o 4  22.0689      1.01008     1171.54   135.742      1398.06   135.742      229.501   135.742      
1 1 1 -9  9  5  o 10 10.5786      0.746194    966.709   -140.939     621.537   -140.939     76.6029   39.061       
1 1 1 -9  9  6  o 4  34.8965      1.52973     1341.3    26.925       1956.94   26.925       439.135   26.925       
1 1 1 -9  9  7  o 12 20.7361      1.0434      1709.39   135.213      961.488   135.213      213.078   -44.7872     
1 1 1 -9  9  8  o 12 15.8591      1.33674     2145.7    139.919      218.136   139.919      776.778   -40.0809     
1 1 1 -9  9  9  o 10 18.1982      1.39756     1304.04   -2.13279     906.148   -2.13279     98.5575   177.867      
1 1 1 -9  9  10 o 2  3.79905      0.435069    949.259   -147.91      ?         ?            ?         ?            
1 1 1 -9  9  11 o 9  50.3468      2.3977      1589.77   155.995      2281.47   155.995      431.382   155.995      
1 1 1 -9  9  12 o 8  7.12309      0.656485    698.711   4.6877       111.661   4.6877       260.648   -175.312     
1 1 1 -9  9  13 o 1  9.11912      0.653052    514.784   40.838       671.515   40.838       102.114   40.838       
1 1 1 -9  9  14 o 14 11.4084      0.684273    973.236   -46.8575     772.712   -46.8575     53.2062   133.142      
1 1 1 -9  9  15 f 0  3.68489      0.44343     1007.36   -63.7196     41.6774   116.28       475.995   116.28       
1 1 1 -9  9  16 o 5  21.0414      1.04747     1042.37   -132.105     1476.66   -132.105     262.349   -132.105     
1 1 1 -9  9  17 f 0  1.28227      0.322642    480.986   -142.939     111.298   37.0611      275.942   37.0611      
1 1 1 -9  9  18 o 4  5.78792      0.485417    666.928   53.9892      602.601   53.9892      6.57719   53.9892      
1 1 1 -9  9  19 o 7  1.5624       0.353985    596.702   -165.371     64.9485   -165.371     213.366   14.6289      
1 1 1 -9  9  20 o 14 0.810268     0.299482    398.723   -60.5655     16.7377   119.435      165.225   119.435      
1 1 1 -9  9  21 o 15 0.747495     0.640783    167.942   -12.5506     ?         ?            ?         ?            
1 1 1 -9  11 1  o 15 23.5689      1.55233     1246.67   89.4884      1289.11   89.4884      113.561   89.4884      
1 1 1 -9  11 2  o 9  10.0748      0.51879     1084.39   -126.215     251.476   -126.215     337.628   53.7851      
1 1 1 -9  11 3  o 6  6.69031      0.552018    166.854   -8.39435     88.6988   -8.39435     27.4029   171.606      
1 1 1 -9  11 4  o 18 9.63353      0.603826    1204.88   2.64343      248.703   2.64343      398.597   -177.357     
1 1 1 -9  11 5  o 9  8.35403      0.524229    1235.71   91.5228      100.983   91.5228      492.021   -88.4772     
1 1 1 -9  11 6  o 5  3.162        0.376084    246.89    14.7809      39.6176   -165.219     129.55    -165.219     
1 1 1 -9  11 7  o 3  2.41636      0.388137    434.099   -23.0224     235.146   156.978      312.71    156.978      
1 1 1 -9  11 8  o 8  2.98416      0.472811    1411.14   154.042      665.584   -25.9584     972.052   -25.9584     
1 1 1 -9  11 9  o 10 8.04678      0.701702    1230.9    -154.368     171.035   -154.368     473.472   25.632       
1 1 1 -9  11 10 o 14 7.42097      0.685721    468.222   -34.8752     431.066   -34.8752     3.4099    -34.8752     
1 1 1 -9  11 11 o 6  4.41184      0.635704    705.366   76.6703      212.481   76.6703      212.143   -103.33      
1 1 1 -9  11 12 o 7  2.37486      0.954894    387.561   -107.268     98.6285   72.7317      224.369   72.7317      
1 1 1 -9  11 13 o 8  4.73091      0.878093    682.681   52.84        346.279   52.84        137.653   -127.16      
1 1 1 -9  11 14 o 15 1.94885      0.475075    295.534   -166.256     79.7778   -166.256     95.7094   13.7438      
1 1 1 -9  11 15 o 3  6.91514      0.765342    780.002   -83.7973     585.497   -83.7973     61.1381   96.2027      
1 1 1 -9  11 16 o 4  1.46735      0.486364    285.926   -37.4449     82.5271   -37.4449     82.6846   142.555      
1 1 1 -9  11 17 o 4  3.71384      0.484001    584.323   101.704      459.722   101.704      8.17338   -78.2961     
1 1 1 -9  11 18 o 9  0.253414     0.335559    406.604   78.8457      183.686   -101.154     251.541   -101.154     
1 1 1 -9  11 19 o 12 0.11838      0.329241    354.324   -43.898      ?         ?            ?         ?            
1 1 1 -9  13 1  o 2  3.95614      0.493346    226.944   179.909      73.2615   179.909      66.1503   -0.0907821   
1 1 1 -9  13 2  o 3  0.561307     0.242666    348.943   -40.9765     ?         ?            ?         ?            
1 1 1 -9  13 3  o 2  8.97847      0.595844    358.624   -80.0831     643.77    -80.0831     159.673   -80.0831     
1 1 1 -9  13 4  o 9  1.90279      0.393456    689.051   -12.7117     226.542   167.288      424.582   167.288      
1 1 1 -9  13 5  o 13 2.1836       0.350923    379.855   -98.3944     49.9859   81.6056      196.419   81.6056      
1 1 1 -9  13 6  o 12 5.49688      0.63403     434.247   170.162      413.236   170.162      10.7082   170.162      
1 1 1 -9  13 7  o 12 4.68733      0.424293    396.252   -72.4672     350.757   -72.4672     3.66334   107.533      
1 1 1 -9  13 8  o 18 6.15099      0.839332    396.222   113.506      568.167   113.507      104.294   113.507      
1 1 1 -9  13 9  o 13 1.3447       0.31917     404.447   -6.86741     132.633   173.133      251.009   173.133      
1 1 1 -9  13 10 o 3  5.8272       0.607241    545.81    -107.199     618.173   -107.199     58.6614   -107.199     
1 1 1 -9  13 11 o 8  5.13563      0.968425    598.931   90.6035      484.79    90.6035      31.1018   -89.3965     
1 1 1 -9  13 12 o 5  0.445006     0.325121    329.084   -95.7165     198.011   84.2835      245.802   84.2835      
1 1 1 -9  13 13 o 12 3.79971      0.57623     618.543   -159.062     393.846   -159.062     67.0961   20.9384      
1 1 1 -9  13 14 o 17 4.93181      0.669185    350.076   -78.2289     749.918   -78.2289     232.749   -78.2289     
1 1 1 -9  13 15 o 19 -0.0279509   0.379386    94.608    56.5882      58.456    -123.412     66.4926   -123.412     
1 1 1 -9  13 16 o 14 -0.0791504   0.357475    420.222   179.631      189.983   -0.368738    256.394   -0.368738    
1 1 1 -9  13 17 o 18 1.89645      1.27168     72.6407   174.514      ?         ?            ?         ?            
1 1 1 -9  15 1  o 17 1.03041      0.330474    345.536   157.314      71.7809   -22.686      193.947   -22.686      
1 1 1 -9  15 2  o 3  2.40127      0.371199    309.399   174.392      173.435   174.392      54.6595   -5.60825     
1 1 1 -9  15 3  o 13 1.32033      0.421387    325.661   -101.731     7.85844   78.2685      152.353   78.2685      
1 1 1 -9  15 4  o 11 0.725462     0.252361    552.145   15.5157      286.228   -164.484     393.471   -164.484     
1 1 1 -9  15 5  o 6  0.658274     0.277433    285.293   170.162      121.369   -9.83846     188.86    -9.83846     
1 1 1 -9  15 6  o 7  0.928279     0.267764    390.7     -56.9748     172.464   123.025      259.148   123.025      
1 1 1 -9  15 7  o 13 0.119088     0.238241    267.565   -18.6869     184.505   161.313      208.087   161.313      
1 1 1 -9  15 8  f 0  1.20914      0.335019    234.799   -164.22      89.6251   -164.22      53.9952   15.7803      
1 1 1 -9  15 9  o 6  0.15489      0.306528    285.173   -78.7884     171.301   101.212      202.073   101.212      
1 1 1 -9  15 10 o 7  1.70441      0.492376    90.4939   -51.8726     126.43    -51.8726     27.1757   -51.8726     
1 1 1 -9  15 11 o 3  1.47359      0.452331    255       177.071      238.261   177.071      19.1537   177.071      
1 1 1 -9  15 12 o 15 0.945736     0.426553    152.986   6.20584      42.242    6.20584      37.7134   -173.794     
1 1 1 -9  15 13 o 12 0.837538     0.367124    241.789   -33.5229     ?         ?            ?         ?            
1 1 1 -9  17 1  o 7  1.52108      0.442621    131.461   -168.863     202.656   -168.863     50.2406   -168.863     
1 1 1 -9  17 2  o 16 1.0354       0.360983    168.946   173.706      125.019   173.706      3.02434   -6.29397     
1 1 1 -9  17 3  o 5  0.653684     0.301166    581.506   63.5196      163.204   -116.48      306.242   -116.48      
1 1 1 -9  17 4  o 7  0.674991     0.387552    473.691   -59.6213     53.7185   120.379      208.513   120.379      
1 1 1 -9  17 5  o 4  0.60317      0.303251    364.096   -152.703     11.6443   -152.703     132.235   27.297       
1 1 1 -9  17 6  o 3  1.07657      0.339967    124.356   74.8093      156.878   74.8093      31.8128   74.8093      
1 1 1 -9  17 7  o 8  0.62986      0.391771    233.59    79.5286      ?         ?            ?         ?            
1 1 1 -8  0  1  o 5  170.92       17.91       2997.51   180          4327.05   180          743.366   180          
1 1 1 -8  0  2  o 17 8.28942      0.5007      104.081   180          15.52     3.79509e-14  57.4912   5.12251e-15  
1 1 1 -8  0  3  o 15 34.8996      5.20523     1154.8    0            1532.74   0            209.807   0            
1 1 1 -8  0  4  o 19 65.6283      2.49657     1933.45   0            2225.91   0            182.135   0            
1 1 1 -8  0  5  o 19 0.968221     0.205996    620.884   180          ?         ?            ?         ?            
1 1 1 -8  0  6  o 7  4.08731      0.470725    606.312   0            ?         ?            ?         ?            
1 1 1 -8  0  7  o 15 38.027       2.89192     2309.47   180          1227.93   180          414.168   2.78198e-14  
1 1 1 -8  0  8  o 4  9.76512      0.591667    761.785   180          8.41247   5.44452e-13  334.79    6.8404e-15   
1 1 1 -8  0  9  o 6  44.1702      1.94605     2076.6    180          1346.59   180          214.848   5.09948e-14  
1 1 1 -8  0  10 o 12 55.5397      2.93968     1740.04   0            2489.07   0            506.761   0            
1 1 1 -8  0  11 o 3  58.7304      3.01732     1557.86   0            2963.7    0            829.398   0            
1 1 1 -8  0  12 o 15 30.4982      2.4238      467.389   180          2196.68   180          906.497   180          
1 1 1 -8  0  13 f 0  17.7086      1.2568      596.298   180          1226.38   180          373.228   180          
1 1 1 -8  0  14 o 16 5.26623      0.553577    689.594   0            188.34    0            182.727   180          
1 1 1 -8  0  15 o 10 6.42167      0.741661    893.678   0            ?         ?            ?         ?            
1 1 1 -8  0  16 o 1  4.13691      0.567575    377.453   0            ?         ?            ?         ?            
1 1 1 -8  0  17 o 19 5.10226      0.544695    694.701   0            127.6     0            248.248   180          
1 1 1 -8  0  18 o 5  18.1424      1.89529     389.238   0            247.553   0            52.9646   180          
1 1 1 -8  0  19 o 8  36.7899      1.80812     383.106   0            2716.6    0            1185.4    0            
1 1 1 -8  0  20 o 14 0.0109845    0.381313    220.11    0            ?         ?            ?         ?            
1 1 1 -8  0  21 o 5  3.66488      0.645315    300.01    0            364.631   0            44.6947   0            
1 1 1 -8  0  22 o 2  2.24857      0.663493    610.089   180          97.7549   180          219.837   1.01368e-14  
1 1 1 -8  0  23 o 4  4.87225      0.787029    762.372   180          581.902   180          17.8537   2.35711e-13  
1 1 1 -8  0  24 o 6  15.002       2.21209     531.732   180          1623.87   180          605.445   180          
1 1 1 -8  2  1  o 19 43.8161      1.30449     2381.79   120.133      728.537   120.133      784.788   -59.8668     
1 1 1 -8  2  2  o 19 135.937      3.35081     2223.84   -59.3747     3929.22   -59.3747     891.738   -59.3747     
1 1 1 -8  2  3  o 10 35.1639      1.28174     1513.17   -61.6137     642.291   -61.6137     405.812   118.386      
1 1 1 -8  2  4  f 0  83.2812      3.7516      1271.1    105.108      2907.23   105.108      850.908   105.108      
1 1 1 -8  2  5  o 5  29.4452      1.28187     981.237   -91.7921     289.347   -91.7921     309.94    88.2079      
1 1 1 -8  2  6  o 3  91.4885      3.21659     2217.66   -20.1884     2293.12   -20.1884     148.309   -20.1884     
1 1 1 -8  2  7  f 0  75.6919      2.53433     2134.83   125.796      1618.27   125.796      126.545   -54.2042     
1 1 1 -8  2  8  o 17 12.181       0.778255    652.504   156.561      194.31    -23.4389     377.953   -23.4389     
1 1 1 -8  2  9  o 14 0.940863     0.145764    209.538   -153.08      ?         ?            ?         ?            
1 1 1 -8  2  10 o 18 8.95389      0.564817    204.517   27.0753      81.7137   27.0753      45.5179   -152.925     
1 1 1 -8  2  11 o 2  1.88437      0.211991    70.8177   73.4737      30.4096   -106.526     44.6745   -106.526     
1 1 1 -8  2  12 o 7  31.3123      1.40305     1500.03   -174.427     1599.67   -174.426     188.581   -174.426     
1 1 1 -8  2  13 o 2  0.631653     0.16802     30.5546   109.974      ?         ?            ?         ?            
1 1 1 -8  2  14 o 5  4.95013      0.770996    800.267   10.2478      60.2946   10.2478      292.633   -169.752     
1 1 1 -8  2  15 o 19 26.6322      1.09597     1630.9    31.5306      1280.67   31.5306      39.7747   -148.469     
1 1 1 -8  2  16 o 17 25.9116      1.33205     583.457   -77.4608     1620.99   -77.4608     555.547   -77.4608     
1 1 1 -8  2  17 o 19 18.9875      0.741981    416.523   -131.508     1211.92   -131.508     417.9     -131.508     
1 1 1 -8  2  18 o 19 65.115       2.09621     1979.13   114.982      2216.12   114.982      210.213   114.982      
1 1 1 -8  2  19 o 17 8.67647      0.554669    564.326   153.894      520.177   153.894      5.50637   153.894      
1 1 1 -8  2  20 o 19 16.9601      1.18486     524.541   -141.504     1525.05   -141.504     523.638   -141.504     
1 1 1 -8  2  21 o 16 14.0838      0.870948    749.851   -18.6555     1254.81   -18.6555     284.169   -18.6555     
1 1 1 -8  2  22 o 4  7.78309      0.657759    175.594   -69.3417     908.738   -69.3417     378.118   -69.3417     
1 1 1 -8  2  23 o 14 0.767077     0.456915    155.398   124.501      2.43395   -55.4987     63.4962   -55.4987     
1 1 1 -8  2  24 o 14 6.55445      0.549187    575.68    129.343      ?         ?            ?         ?            
1 1 1 -8  4  1  o 13 74.6784      3.06831     2137.38   -81.1867     2165.66   -81.1867     99.6367   -81.1867     
1 1 1 -8  4  2  o 2  82.8425      2.26296     1803.95   -39.9275     2745.9    -39.9275     548.288   -39.9275     
1 1 1 -8  4  3  o 2  55.5497      1.99111     2132.26   26.7515      1480.45   26.7515      223.293   -153.249     
1 1 1 -8  4  4  o 9  26.3729      1.0554      2070.29   -20.5783     374.236   159.422      1108.35   159.422      
1 1 1 -8  4  5  o 1  158.235      4.63216     2884.21   -78.2695     4128.42   -78.2695     801.581   -78.2695     
1 1 1 -8  4  6  f 0  40.0736      1.35628     710.577   -22.2855     1310.62   -22.2855     348.526   -22.2855     
1 1 1 -8  4  7  o 4  45.4548      1.78401     1019.74   -151.078     1858.87   -151.078     493.386   -151.078     
1 1 1 -8  4  8  o 1  7.83688      0.540282    838.568   -4.08488     100.145   -4.08488     306.076   175.915      
1 1 1 -8  4  9  o 19 0.75269      0.235256    763.156   134.227      ?         ?            ?         ?            
1 1 1 -8  4  10 o 10 5.8925       0.423406    1066.72   -12.3487     81.441    -12.3487     402.045   167.651      
1 1 1 -8  4  11 o 17 25.2951      1.16725     2127.01   -76.927      942.499   -76.927      394.853   103.073      
1 1 1 -8  4  12 o 14 21.9846      0.900055    1339.69   -102.691     1257.65   -102.691     91.2766   -102.691     
1 1 1 -8  4  13 o 11 6.88529      0.388049    377.928   -131.091     243.821   48.9086      274.017   48.9086      
1 1 1 -8  4  14 o 5  1.56728      0.299424    353.692   23.8247      ?         ?            ?         ?            
1 1 1 -8  4  15 o 1  77.2999      2.71623     2325.68   77.3465      2637.29   77.3465      313.156   77.3465      
1 1 1 -8  4  16 o 5  0.875861     0.307923    758.983   -102.151     ?         ?            ?         ?            
1 1 1 -8  4  17 o 6  2.52572      0.389102    823.632   -72.7081     341.049   107.292      544.563   107.292      
1 1 1 -8  4  18 o 11 8.48289      0.772503    389.47    74.3218      507.312   74.3218      77.7542   74.3218      
1 1 1 -8  4  19 o 1  6.36538      0.547891    646.717   -152.088     164.719   -152.088     210.489   27.9122      
1 1 1 -8  4  20 o 15 5.62434      0.516709    640.696   -151.766     442.309   -151.766     72.7471   28.234       
1 1 1 -8  4  21 o 2  7.72845      0.584994    739.996   166.8        707.756   166.8        21.9941   166.8        
1 1 1 -8  4  22 o 9  2.25073      0.429961    579.166   123.876      202.423   123.876      138.986   -56.124      
1 1 1 -8  4  23 o 12 11.2036      0.741164    739.844   -160.947     1191.28   -160.947     305.088   -160.947     
1 1 1 -8  4  24 o 7  1.40658      0.361029    70.4855   35.8628      ?         ?            ?         ?            
1 1 1 -8  6  1  o 16 33.673       1.39781     1711.49   -72.7488     1245.13   -72.7488     111.441   107.251      
1 1 1 -8  6  2  o 4  23.3996      0.967487    1132.52   23.1423      738.924   23.1423      115.533   -156.858     
1 1 1 -8  6  3  o 3  40.2895      1.59855     2312.95   -30.6729     1213.65   -30.6729     381.255   149.327      
1 1 1 -8  6  4  o 10 62.1544      2.03446     2181.26   -107.637     2268.82   -107.637     205.401   -107.637     
1 1 1 -8  6  5  o 17 51.9569      2.35448     1255.9    -117.176     2402.46   -117.176     668.281   -117.176     
1 1 1 -8  6  6  o 5  22.249       1.45829     1893.37   174.027      806.86    174.027      395.903   -5.97306     
1 1 1 -8  6  7  o 4  51.0489      2.11251     1276.55   69.1506      2567.82   69.1506      749.41    69.1506      
1 1 1 -8  6  8  o 9  46.7104      1.69855     1618.08   116.615      2234.44   116.615      448.111   116.615      
1 1 1 -8  6  9  o 4  12.1243      0.732199    1079.67   -101.462     480.723   -101.462     199.278   78.538       
1 1 1 -8  6  10 o 7  31.1727      1.35358     1623.19   -137.001     1483.4    -137.001     89.3209   -137.001     
1 1 1 -8  6  11 o 10 61.0703      2.26648     2325.71   113.432      2365.4    113.432      250.039   113.432      
1 1 1 -8  6  12 o 5  3.67311      0.684818    923.366   -82.1286     128.632   97.8714      440.578   97.8714      
1 1 1 -8  6  13 o 7  2.92391      0.357404    337.084   -107.655     ?         ?            ?         ?            
1 1 1 -8  6  14 o 13 35.1349      1.85435     591.55    -152.726     2007.04   -152.726     743.98    -152.726     
1 1 1 -8  6  15 o 19 9.75535      0.594735    640.792   -67.2643     598.438   -67.2643     10.0771   -67.2643     
1 1 1 -8  6  16 o 9  5.76132      0.480063    1010.51   -39.042      95.2323   -39.042      411.125   140.958      
1 1 1 -8  6  17 o 8  20.2099      0.912994    471.586   79.3863      1485.59   79.3863      529.926   79.3863      
1 1 1 -8  6  18 o 15 1.52338      0.533169    340.989   132.74       121.431   -47.2596     215.232   -47.2596     
1 1 1 -8  6  19 o 7  5.50902      0.503197    164.958   -179.274     336.054   -179.274     92.356    -179.274     
1 1 1 -8  6  20 o 18 2.99065      0.444974    480.045   17.1605      321.268   17.1605      55.2002   -162.839     
1 1 1 -8  6  21 o 9  0.29279      0.301124    95.8967   -128.798     ?         ?            ?         ?            
1 1 1 -8  6  22 o 15 1.03344      0.400811    417.978   -133.545     67.0939   -133.545     131.258   46.4547      
1 1 1 -8  6  23 o 3  2.21768      0.390733    78.1427   -79.6005     ?         ?            ?         ?            
1 1 1 -8  8  1  o 17 15.7303      0.742686    2029.71   -134.652     356.501   -134.652     663.759   45.348       
1 1 1 -8  8  2  o 13 15.4922      0.746224    538.797   13.7679      1058.18   13.7679      306.021   13.7679      
1 1 1 -8  8  3  f 0  1.97442      0.240228    851.129   -80.026      358.114   99.974       530.041   99.974       
1 1 1 -8  8  4  o 5  22.8518      1.1224      1344.74   171.745      1270.54   171.745      84.0225   171.745      
1 1 1 -8  8  5  o 13 40.4681      1.40856     1664.87   112.844      1996.96   112.844      321.163   112.844      
1 1 1 -8  8  6  f 0  12.3138      0.912654    678.759   40.969       828.458   40.969       140.31    40.969       
1 1 1 -8  8  7  o 11 34.5766      1.53506     1751.55   -102.583     1664.37   -102.583     129.639   -102.583     
1 1 1 -8  8  8  o 15 9.11435      0.709238    522.399   -171.148     589.001   -171.148     85.0548   -171.148     
1 1 1 -8  8  9  o 13 6.31712      0.52183     684.917   -130.12      20.1668   -130.12      267.092   49.8801      
1 1 1 -8  8  10 o 10 0.0146061    0.212485    415.158   -164.236     ?         ?            ?         ?            
1 1 1 -8  8  11 o 17 41.353       1.95055     1490.1    118.314      2006.99   118.314      368.029   118.314      
1 1 1 -8  8  12 o 13 10.9595      0.833316    840.862   10.3306      464.382   10.3306      138.344   -169.669     
1 1 1 -8  8  13 o 14 7.67385      0.556863    811.496   -6.63243     384.1     -6.63243     173.961   173.368      
1 1 1 -8  8  14 o 12 12.1486      0.903381    654.752   -102.021     918.497   -102.021     161.913   -102.021     
1 1 1 -8  8  15 o 17 26.1837      1.1888      874.162   124.576      1799.52   124.576      504.63    124.576      
1 1 1 -8  8  16 o 11 3.54236      0.59836     228.915   -22.5488     160.121   -22.5488     23.3209   157.451      
1 1 1 -8  8  17 o 7  3.77098      0.534033    208.137   -117.712     248.595   -117.712     29.2663   -117.712     
1 1 1 -8  8  18 f 0  0.670297     0.26669     114.47    -104.484     88.8522   75.5162      96.8161   75.5162      
1 1 1 -8  8  19 o 19 9.47288      0.678678    765.372   10.2797      853.773   10.2797      90.9806   10.2797      
1 1 1 -8  8  20 o 9  2.59698      0.521935    391.795   99.4572      357.783   99.4573      19.1737   99.4573      
1 1 1 -8  8  21 o 16 0.0518483    0.26753     153.532   -78.8998     ?         ?            ?         ?            
1 1 1 -8  8  22 o 13 2.61894      0.521466    295.996   -39.0574     ?         ?            ?         ?            
1 1 1 -8  10 1  o 13 0.652402     0.196488    1158.47   -67.6636     ?         ?            ?         ?            
1 1 1 -8  10 2  o 5  8.91272      0.959878    960.746   70.0446      298.848   70.0446      238.686   -109.955     
1 1 1 -8  10 3  o 4  22.8557      1.15475     1323.07   62.9312      1346.73   62.9312      136.92    62.9312      
1 1 1 -8  10 4  o 5  3.69791      0.390372    706.251   -108.594     174.899   71.4058      375.678   71.4058      
1 1 1 -8  10 5  o 17 24.2117      1.08446     2596.8    -38.1188     459.235   -38.1188     841.207   141.881      
1 1 1 -8  10 6  o 18 1.35635      0.247635    597.222   58.6701      374.775   -121.33      437.357   -121.33      
1 1 1 -8  10 7  o 1  15.3557      0.960135    551.729   -77.1161     939.094   -77.1161     234.138   -77.1161     
1 1 1 -8  10 8  o 6  7.86677      0.849041    1050.93   -104.191     69.0469   75.8094      492.772   75.8094      
1 1 1 -8  10 9  o 17 7.03735      0.580296    526.89    86.427       261.187   86.427       103.921   -93.573      
1 1 1 -8  10 10 o 17 13.3092      1.50022     280.576   -30.0085     525.604   -30.0085     136.074   -30.0085     
1 1 1 -8  10 11 o 13 1.29319      0.464305    964.873   -175.527     741.366   4.47263      808.854   4.47263      
1 1 1 -8  10 12 o 9  14.0904      0.894664    416.58    145.345      1016.57   145.345      319.616   145.345      
1 1 1 -8  10 13 o 1  13.6945      0.904467    951.343   -79.6182     975.574   -79.6182     58.5756   -79.6182     
1 1 1 -8  10 14 o 10 1.08417      0.652187    89.8314   143.552      51.4731   -36.448      66.4142   -36.448      
1 1 1 -8  10 15 o 13 0.62628      0.265602    354.932   60.5042      217.4     -119.496     271.135   -119.496     
1 1 1 -8  10 16 f 0  7.06425      0.63559     496.585   -178.5       818.36    -178.5       182.191   -178.5       
1 1 1 -8  10 17 o 14 0.707378     0.408412    496.856   -143.026     179.2     36.9741      308.214   36.9741      
1 1 1 -8  10 18 o 2  3.18487      0.42899     361.575   78.1775      479.701   78.1775      91.0485   78.1775      
1 1 1 -8  10 19 o 2  1.151        0.340154    495.95    -35.9332     62.4237   -35.9332     164.062   144.067      
1 1 1 -8  10 20 o 16 1.33561      0.41511     156.515   -26.9666     ?         ?            ?         ?            
1 1 1 -8  12 1  o 17 5.47567      0.473261    787.998   -120.801     17.6517   59.1988      363.126   59.1988      
1 1 1 -8  12 2  o 14 11.4107      0.677775    766.558   22.4652      672.821   22.4652      8.77805   -157.535     
1 1 1 -8  12 3  o 2  2.72354      0.297138    317.402   -59.6404     58.1976   120.36       172.397   120.36       
1 1 1 -8  12 4  o 10 24.1811      1.04841     1259.12   131.85       1366.09   131.85       112.933   131.85       
1 1 1 -8  12 5  o 15 3.65272      0.37744     1159.15   -134.161     862.974   45.8392      957.529   45.8392      
1 1 1 -8  12 6  o 4  2.85465      0.581972    506.298   -116.212     245.655   63.7876      352.748   63.7876      
1 1 1 -8  12 7  o 17 1.56341      0.289335    152.382   -106.553     77.7767   73.4472      107.991   73.4472      
1 1 1 -8  12 8  o 8  1.41095      0.313848    250.658   -29.1019     168.394   150.898      197.54    150.898      
1 1 1 -8  12 9  f 0  4.72889      0.546121    788.378   -113.683     231.085   -113.683     240.151   66.3169      
1 1 1 -8  12 10 o 12 0.862861     0.378248    222.311   165.846      132.844   -14.154      166.864   -14.154      
1 1 1 -8  12 11 o 18 12.018       0.801645    771.056   -110.285     1039.8    -110.285     169.232   -110.285     
1 1 1 -8  12 12 o 5  0.963572     0.52575     360.896   44.8298      195.149   -135.17      263       -135.17      
1 1 1 -8  12 13 o 17 3.64989      0.58046     713.998   87.195       217.36    87.195       217.732   -92.805      
1 1 1 -8  12 14 o 5  4.78711      0.855044    248.81    -174.491     602.653   -174.491     190.696   -174.491     
1 1 1 -8  12 15 o 15 1.72449      0.490952    168.4     128.244      160.789   128.244      9.4188    128.244      
1 1 1 -8  12 16 o 13 1.81083      0.538107    324.198   -65.1173     227.735   -65.1172     15.9303   114.883      
1 1 1 -8  12 17 f 0  0.437294     0.382201    90.6972   157.496      19.8076   -22.5039     45.2836   -22.5039     
1 1 1 -8  12 18 o 13 1.00421      0.841257    202.156   96.1043      ?         ?            ?         ?            
1 1 1 -8  14 1  o 1  3.66116      0.447512    540.47    -113.11      145.886   -113.11      171.783   66.8896      
1 1 1 -8  14 2  o 13 8.0947       0.628843    1021.47   -41.7248     495.531   -41.7248     215.085   138.275      
1 1 1 -8  14 3  o 14 3.60073      0.345923    634.158   79.4324      160.359   79.4324      207.595   -100.568     
1 1 1 -8  14 4  o 5  1.31631      0.303057    119.13    163.415      27.5406   -16.5846     67.9606   -16.5846     
1 1 1 -8  14 5  o 12 0.485381     0.233168    463.546   12.1476      365.935   -167.852     394.519   -167.852     
1 1 1 -8  14 6  o 19 1.33361      0.290336    603.683   -151.158     495.291   28.8415      524.123   28.8415      
1 1 1 -8  14 7  o 14 2.02718      0.501008    677.586   168.139      230.327   -11.8607     426.088   -11.8607     
1 1 1 -8  14 8  o 5  0.622677     0.263094    275.747   -120.26      130.381   59.7403      191.328   59.7403      
1 1 1 -8  14 9  o 2  2.83746      0.472941    628.996   -171.828     195.452   -171.828     186.272   8.17222      
1 1 1 -8  14 10 o 11 0.691449     0.419351    159.672   61.0475      36.298    -118.953     88.3197   -118.953     
1 1 1 -8  14 11 o 13 3.14651      0.528967    403.027   -66.5659     441.84    -66.5659     50.6814   -66.5659     
1 1 1 -8  14 12 o 10 1.6747       0.405165    248.052   121.108      142.676   121.108      29.2318   -58.8919     
1 1 1 -8  14 13 o 3  -0.166488    0.253276    330.498   72.8754      ?         ?            ?         ?            
1 1 1 -8  14 14 o 7  0.785119     0.382821    242.476   -10.7746     69.0044   -10.7746     59.3402   169.225      
1 1 1 -8  14 15 o 7  0.427347     0.383511    50.2092   163.201      ?         ?            ?         ?            
1 1 1 -8  16 1  o 4  0.204386     0.286187    227.499   0.924362     143.336   -179.076     167.101   -179.076     
1 1 1 -8  16 2  o 6  0.233575     0.37628     242.499   150.873      131.66    -29.1268     167.123   -29.1268     
1 1 1 -8  16 3  o 18 1.52422      0.437789    109.864   161.75       103.153   161.75       6.05424   161.75       
1 1 1 -8  16 4  o 2  0.365656     0.269575    280.674   140.102      223.936   -39.8981     226.962   -39.8981     
1 1 1 -8  16 5  o 7  2.47004      0.370499    562.06    54.6592      301.975   54.6592      76.2643   -125.341     
1 1 1 -8  16 6  o 14 0.398922     0.253811    175.408   76.3375      83.1614   -103.662     111.574   -103.662     
1 1 1 -8  16 7  o 2  1.72383      0.329243    108.773   -104.745     174.235   -104.745     44.1901   -104.745     
1 1 1 -8  16 8  o 5  0.637684     0.361956    320.638   109.784      0.863668  -70.2161     125.775   -70.2161     
1 1 1 -8  16 9  o 7  -0.0490913   0.228207    194.725   -60.6422     106.837   119.358      128.439   119.358      
1 1 1 -8  16 10 o 3  0.691169     0.427904    222.587   -61.1631     ?         ?            ?         ?            
1 1 1 -7  1  1  o 3  39.4033      1.46947     602.109   30.4103      1142.94   30.4103      285.476   30.4103      
1 1 1 -7  1  2  o 17 74.39        2.55024     1283.32   113.936      2640.36   113.936      705.734   113.936      
1 1 1 -7  1  3  o 8  184.901      4.87698     2913.47   148.745      4138.96   148.745      664.388   148.745      
1 1 1 -7  1  4  o 14 53.2124      1.59017     1046.41   108.897      1822.4    108.897      408.011   108.897      
1 1 1 -7  1  5  o 15 53.2977      1.883       1765.48   3.25336      206.871   -176.747     937.279   -176.747     
1 1 1 -7  1  6  o 6  94.8804      3.93725     2227.64   163.512      2226.65   163.512      92.1352   163.512      
1 1 1 -7  1  7  o 13 35.0338      1.28653     1447.85   14.7135      811.063   14.7135      237.248   -165.287     
1 1 1 -7  1  8  o 7  119.885      3.75798     3345.14   164.415      2297.46   164.415      300.478   -15.5851     
1 1 1 -7  1  9  o 16 19.3031      0.94573     1523.16   -139.53      506.167   -139.53      397.824   40.4698      
1 1 1 -7  1  10 o 4  109.612      3.65123     2491.01   -156.268     3254.8    -156.268     571.993   -156.268     
1 1 1 -7  1  11 o 7  31.426       1.38992     1576.51   172.923      1575.75   172.923      128.474   172.923      
1 1 1 -7  1  12 o 7  22.7371      1.12127     1320.39   -79.0393     1325.13   -79.0393     121.518   -79.0393     
1 1 1 -7  1  13 o 1  1.36685      0.266287    659.186   24.1685      ?         ?            ?         ?            
1 1 1 -7  1  14 o 12 14.495       0.724891    861.204   114.343      911.881   114.343      109.814   114.343      
1 1 1 -7  1  15 o 10 3.60665      0.364492    736.83    -160.83      ?         ?            ?         ?            
1 1 1 -7  1  16 o 12 44.8129      1.56472     1427.71   -24.759      2224.42   -24.759      493.333   -24.759      
1 1 1 -7  1  17 o 10 35.0793      1.28131     1566.62   -147.393     1434.55   -147.393     12.3618   -147.393     
1 1 1 -7  1  18 f 0  17.4764      0.995625    719.529   118.005      968.457   118.005      157.58    118.005      
1 1 1 -7  1  19 o 2  6.65716      0.676473    705.836   108.22       485.432   108.22       75.7684   -71.7803     
1 1 1 -7  1  20 o 8  29.9352      1.27698     1353.01   92.1678      1700.73   92.1678      235.424   92.1678      
1 1 1 -7  1  21 o 19 3.71005      0.45918     410.94    -15.8414     364.278   -15.8414     6.26959   164.159      
1 1 1 -7  1  22 f 0  22.829       1.06248     943.949   -29.9984     1707.11   -29.9984     439.903   -29.9984     
1 1 1 -7  1  23 o 12 2.33857      0.499276    239.564   -81.1459     297.535   -81.1459     52.1517   -81.1459     
1 1 1 -7  1  24 f 0  4.095        0.487351    432.548   -100.393     655.033   -100.393     160.032   -100.393     
1 1 1 -7  3  1  o 14 97.2876      2.57173     2468.5    -16.896      2480.68   -16.896      58.5176   -16.896      
1 1 1 -7  3  2  o 4  19.2588      0.850765    273.862   57.3762      12.6407   -122.624     136.8     -122.624     
1 1 1 -7  3  3  o 8  81.3773      2.87292     1341.68   -140.529     2920.31   -140.529     827.895   -140.529     
1 1 1 -7  3  4  o 19 129.153      4.73645     3097.47   -125.201     2850.13   -125.201     8.28257   54.7991      
1 1 1 -7  3  5  o 18 17.4037      0.811766    1992.63   48.095       239.418   -131.905     1020.22   -131.905     
1 1 1 -7  3  6  o 6  11.2085      1.95618     719.417   -38.271      156.681   141.729      395.667   141.729      
1 1 1 -7  3  7  o 17 53.9228      1.98834     1425.37   -17.2336     2226.32   -17.2336     496.435   -17.2336     
1 1 1 -7  3  8  o 15 78.4732      2.46445     2601.28   7.41871      2329.12   7.41871      52.3318   7.41871      
1 1 1 -7  3  9  o 17 1.23747      0.310382    953.294   67.4496      657.768   -112.55      733.343   -112.55      
1 1 1 -7  3  10 o 1  30.419       1.24259     1011.78   -78.4576     1827.69   -78.4576     489.051   -78.4576     
1 1 1 -7  3  11 o 8  3.7337       0.328715    609.208   -28.7755     163.25    151.225      332.941   151.225      
1 1 1 -7  3  12 o 2  67.6886      2.1057      1968.47   -74.5507     2801.16   -74.5507     604.738   -74.5507     
1 1 1 -7  3  13 o 2  42.7094      1.57937     1268.03   -120.653     2327.5    -120.653     655.728   -120.653     
1 1 1 -7  3  14 o 11 2.27901      0.277184    405.691   154.165      257.965   -25.835      294.058   -25.835      
1 1 1 -7  3  15 o 15 11.3793      1.13724     1069.68   -2.84067     401.732   -2.84067     252.052   177.159      
1 1 1 -7  3  16 o 6  22.8217      1.21247     1392.2    36.2774      948.471   36.2774      142.025   -143.723     
1 1 1 -7  3  17 o 6  8.94465      0.62245     485.821   -122.938     220.708   -122.938     109.908   57.0618      
1 1 1 -7  3  18 o 18 8.68787      0.641322    502.208   149.619      257.993   149.619      98.3918   -30.3811     
1 1 1 -7  3  19 o 5  39.5771      1.82951     892.964   127.673      2467.67   127.673      830.705   127.673      
1 1 1 -7  3  20 o 3  4.01278      0.399637    427.796   174.162      160.798   174.162      115.207   -5.83813     
1 1 1 -7  3  21 o 9  23.7333      1.88045     705.002   143.338      1808.3    143.338      583.54    143.338      
1 1 1 -7  3  22 o 7  0.84263      0.325323    262.206   -52.2022     ?         ?            ?         ?            
1 1 1 -7  3  23 o 11 1.78247      0.395324    544.651   78.8791      38.5327   78.8791      196.588   -101.121     
1 1 1 -7  3  24 o 4  11.3718      0.800706    296.379   51.8197      ?         ?            ?         ?            
1 1 1 -7  5  1  o 14 15.2776      0.854448    718.614   -171.596     5.53057   8.40436      320.13    8.40436      
1 1 1 -7  5  2  o 15 73.2163      2.65863     1800.05   179.384      2627.78   179.384      522.429   179.384      
1 1 1 -7  5  3  o 15 26.5563      1.0632      1288.74   65.3784      463.739   65.3784      330.625   -114.622     
1 1 1 -7  5  4  f 0  5.6494       0.450153    1093.92   84.9873      402.746   -95.0127     674.756   -95.0127     
1 1 1 -7  5  5  o 5  57.8758      1.95972     2559.39   -16.1491     1726.53   -16.1491     235.536   163.851      
1 1 1 -7  5  6  o 7  25.0301      1.0521      1766.74   26.6562      284.07    26.6562      611.706   -153.344     
1 1 1 -7  5  7  o 11 51.3316      2.84706     946.531   -96.8685     2635.67   -96.8685     916.269   -96.8685     
1 1 1 -7  5  8  o 19 1.664        0.231934    390.207   -33.3416     265.929   146.658      297.231   146.658      
1 1 1 -7  5  9  o 15 6.33059      0.504298    720.568   -87.4653     168.44    -87.4653     215.252   92.5347      
1 1 1 -7  5  10 o 8  100.51       3.06474     2624.94   119.622      3342.86   119.622      599.324   119.622      
1 1 1 -7  5  11 o 6  37.3677      1.46234     1537.65   -56.7066     1972.76   -56.7066     368.019   -56.7066     
1 1 1 -7  5  12 o 12 92.074       3.14083     2615.42   -25.0947     3133.71   -25.0947     517.712   -25.0947     
1 1 1 -7  5  13 f 0  21.0502      1.25811     1238.04   -176.642     729.552   -176.642     141.509   3.35838      
1 1 1 -7  5  14 o 19 33.4289      1.23156     896.18    54.9111      2014.01   54.9111      626.116   54.9111      
1 1 1 -7  5  15 o 2  7.12696      0.581576    1082.83   58.655       182.45    58.655       388.3     -121.345     
1 1 1 -7  5  16 o 8  1.97266      0.321498    624.852   -156.342     561.618   23.658       563.965   23.658       
1 1 1 -7  5  17 f 0  10.2795      0.708627    500.139   -136.769     778.296   -136.769     162.525   -136.769     
1 1 1 -7  5  18 o 15 22.9399      0.977299    968.81    11.3906      1434.74   11.3906      280.256   11.3906      
1 1 1 -7  5  19 o 11 43.6196      1.98763     1412.23   59.1371      2182.45   59.1371      447.378   59.1371      
1 1 1 -7  5  20 o 18 5.77774      0.686387    217.805   -87.4217     575.13    -87.4217     187.899   -87.4217     
1 1 1 -7  5  21 o 12 0.604189     0.326909    221.65    -53.6611     73.0114   126.339      132.971   126.339      
1 1 1 -7  5  22 o 3  4.63842      0.478747    292.308   105.865      652.952   105.865      208.861   105.865      
1 1 1 -7  5  23 o 16 1.49789      0.45192     468.459   -122.613     130.319   57.3869      246.611   57.3869      
1 1 1 -7  7  1  o 15 6.1265       0.412962    1469.96   87.518       410.19    -92.482      828.011   -92.482      
1 1 1 -7  7  2  o 16 1.40228      0.185866    399.982   15.8265      ?         ?            ?         ?            
1 1 1 -7  7  3  o 17 16.2942      0.688155    1225.83   33.1609      764.959   33.1609      135.233   -146.839     
1 1 1 -7  7  4  o 14 21.0177      1.43473     1625.32   -37.2103     931.032   -37.2103     218.276   142.79       
1 1 1 -7  7  5  o 6  22.2719      1.47991     1490.98   79.3609      1157.85   79.3609      44.5242   -100.639     
1 1 1 -7  7  6  o 10 10.3907      0.631081    1022.92   -40.2599     601.923   -40.2599     122.924   139.74       
1 1 1 -7  7  7  o 15 35.077       1.41215     1489.39   -129.169     1895.11   -129.169     337.606   -129.169     
1 1 1 -7  7  8  o 12 2.70146      0.48866     563.257   160.287      114.511   -19.7131     285.057   -19.7131     
1 1 1 -7  7  9  o 14 13.1017      0.722139    1176.6    126.932      789.904   126.932      76.8367   -53.0683     
1 1 1 -7  7  10 o 14 15.1669      0.905729    1055.04   -14.023      1004.07   -14.023      78.2492   -14.023      
1 1 1 -7  7  11 o 2  7.57556      0.654465    1670.47   -102.452     139.601   77.5479      752.447   77.5479      
1 1 1 -7  7  12 o 6  26.2542      1.22323     1092.93   158.52       1545.72   158.52       311.729   158.52       
1 1 1 -7  7  13 o 11 8.25892      0.582271    790.16    -60.3104     377.625   -60.3104     157.239   119.69       
1 1 1 -7  7  14 o 10 7.85716      0.553274    609.387   -157.872     528.047   22.1285      538.431   22.1285      
1 1 1 -7  7  15 o 7  2.4043       0.416272    663.92    -110.546     233.999   69.4544      418.502   69.4544      
1 1 1 -7  7  16 o 2  7.96914      0.815236    945.031   -90.0945     404.424   -90.0945     224.814   89.9055      
1 1 1 -7  7  17 o 11 0.849967     0.38098     871.249   76.418       737.702   -103.582     762.631   -103.582     
1 1 1 -7  7  18 o 14 8.17828      0.567871    458.756   51.103       754.292   51.103       167.24    51.103       
1 1 1 -7  7  19 o 16 -0.0277679   0.313366    286.32    -51.9842     ?         ?            ?         ?            
1 1 1 -7  7  20 o 10 5.84984      0.54912     540.241   -63.1091     735.799   -63.1091     135.379   -63.1091     
1 1 1 -7  7  21 o 13 4.16931      0.438737    602.8     75.7051      525.927   75.7051      21.5614   75.7051      
1 1 1 -7  7  22 o 9  0.913981     0.35893     171.746   53.8349      92.318    53.8349      20.2507   -126.165     
1 1 1 -7  9  1  o 10 7.48431      0.471813    1032.88   44.5366      286.432   44.5366      273.471   -135.463     
1 1 1 -7  9  2  o 9  3.93397      0.306316    1641.05   -79.7578     543.843   100.242      933.011   100.242      
1 1 1 -7  9  3  o 10 31.3219      2.59176     2062.67   -138.578     1279.67   -138.578     189.18    41.4216      
1 1 1 -7  9  4  o 13 65.9392      2.18759     2299.04   -15.0453     2506.09   -15.0453     331.18    -15.0453     
1 1 1 -7  9  5  o 10 5.70146      0.387994    1487.28   109.81       132.112   -70.1903     661.908   -70.1903     
1 1 1 -7  9  6  o 6  11.339       0.597228    1150.39   -92.5061     621.581   -92.5061     151.351   87.4939      
1 1 1 -7  9  7  o 10 32.5105      1.26213     1849.32   -11.7204     1437.08   -11.7204     30.9128   168.28       
1 1 1 -7  9  8  o 18 0.869622     0.515325    388.632   -176.018     ?         ?            ?         ?            
1 1 1 -7  9  9  o 17 5.98243      0.915285    591.721   -102.827     145.252   -102.827     177.221   77.1727      
1 1 1 -7  9  10 o 5  12.5001      0.972077    635.45    50.9421      677.274   50.9421      62.5454   50.9421      
1 1 1 -7  9  11 o 17 16.2559      1.14636     963.573   -48.7439     876.807   -48.7439     8.77449   -48.7439     
1 1 1 -7  9  12 o 5  15.1284      1.17413     1112.23   178.995      898.19    178.995      54.591    -1.00547     
1 1 1 -7  9  13 o 12 28.4771      1.43021     1033.8    -135.599     1755.81   -135.599     408.682   -135.599     
1 1 1 -7  9  14 o 5  3.74307      0.427387    974.627   40.2439      37.6439   -139.756     459.018   -139.756     
1 1 1 -7  9  15 o 6  19.262       1.21888     711.076   147.998      1513.55   147.998      435.482   147.998      
1 1 1 -7  9  16 o 3  7.11435      0.544305    229.336   -59.8544     610.143   -59.8544     200.335   -59.8544     
1 1 1 -7  9  17 o 4  4.49556      0.512137    556.151   80.5542      477.234   80.5542      16.0477   -99.4458     
1 1 1 -7  9  18 f 0  2.81909      0.393306    320.418   -95.1819     336.854   -95.1819     27.0218   -95.1819     
1 1 1 -7  9  19 o 5  2.01868      0.33474     363.563   167.533      264.827   167.533      17.0989   -12.4673     
1 1 1 -7  9  20 o 1  4.5019       0.433123    266.015   135.401      764.419   135.401      277.645   135.401      
1 1 1 -7  9  21 o 7  0.994778     0.573357    139.89    61.1879      ?         ?            ?         ?            
1 1 1 -7  11 1  o 4  9.97199      0.812021    507.514   -121.459     310.95    -121.459     59.694    58.5405      
1 1 1 -7  11 2  o 19 3.40038      0.339029    654.992   -165.569     224.23    14.4311      390.806   14.4311      
1 1 1 -7  11 3  o 12 31.566       1.36244     2103.03   93.4473      1165.52   93.4473      318.117   -86.5527     
1 1 1 -7  11 4  o 2  6.02804      0.448149    186.18    -3.49127     72.9821   -3.49127     44.042    176.509      
1 1 1 -7  11 5  o 14 13.3257      0.726582    856.748   63.4985      782.446   63.4985      16.1313   63.4985      
1 1 1 -7  11 6  o 4  1.77664      0.246535    349.754   72.753       222.488   -107.247     266.39    -107.247     
1 1 1 -7  11 7  o 19 8.46473      0.83748     865.503   170.471      299.039   170.471      239.058   -9.52901     
1 1 1 -7  11 8  o 17 4.38835      0.443798    915.356   -6.08764     384.023   173.912      606.467   173.912      
1 1 1 -7  11 9  o 2  0.977752     0.32966     191.124   19.0228      ?         ?            ?         ?            
1 1 1 -7  11 10 o 1  5.32956      0.57685     542.621   46.7602      288.157   46.7602      101.798   -133.24      
1 1 1 -7  11 11 o 7  1.49068      0.3818      420.004   38.0889      176.689   -141.911     277.94    -141.911     
1 1 1 -7  11 12 o 5  0.875467     0.740084    495.503   -157.016     327.058   22.9842      387.318   22.9842      
1 1 1 -7  11 13 o 8  1.7004       0.703411    342.784   -40.5771     68.3736   139.423      190.221   139.423      
1 1 1 -7  11 14 o 15 1.66478      0.444647    298.888   61.6006      38.3798   61.6006      117.946   -118.399     
1 1 1 -7  11 15 o 17 0.658235     0.40874     306.732   88.71        159.558   -91.29       218.925   -91.29       
1 1 1 -7  11 16 o 6  7.44107      0.786362    621.684   120.823      834.819   120.823      148.098   120.823      
1 1 1 -7  11 17 o 17 3.49942      0.585558    463.227   -103.669     500.326   -103.669     61.6363   -103.669     
1 1 1 -7  11 18 o 9  0.682598     0.369379    406.697   -156.357     51.9846   23.6432      185.645   23.6432      
1 1 1 -7  11 19 o 15 0.985541     0.354274    518.457   91.2976      ?         ?            ?         ?            
1 1 1 -7  13 1  o 10 3.67912      0.434159    229.011   15.4102      36.5616   15.4102      85.4981   -164.59      
1 1 1 -7  13 2  o 19 2.76108      0.357452    508.899   -175.717     127.193   4.28274      294.104   4.28274      
1 1 1 -7  13 3  f 0  8.77128      0.537992    427.719   172.218      627.033   172.218      119.952   172.218      
1 1 1 -7  13 4  o 8  3.22641      0.521782    592.773   125.942      6.99135   125.942      264.426   -54.0582     
1 1 1 -7  13 5  o 9  1.21181      0.279409    135.839   107.892      75.3949   -72.108      99.0142   -72.108      
1 1 1 -7  13 6  o 11 0.85823      0.339568    522.314   168.194      305.45    -11.8056     388.356   -11.8056     
1 1 1 -7  13 7  o 12 7.68857      0.581246    516.707   87.3918      697.224   87.3918      115.22    87.3918      
1 1 1 -7  13 8  o 1  5.96641      0.860636    99.5732   -165.865     216.027   -165.865     62.854    -165.865     
1 1 1 -7  13 9  o 12 4.19593      0.502263    780.53    76.5082      241.01    76.5082      235.768   -103.492     
1 1 1 -7  13 10 o 5  4.03607      0.519502    350.608   135.355      409.923   135.355      44.1121   135.355      
1 1 1 -7  13 11 o 15 4.34242      0.836527    466.094   -122.487     460.528   -122.487     17.3347   -122.487     
1 1 1 -7  13 12 o 6  2.78567      0.507865    311.856   95.4836      330.04    95.4836      25.802    95.4836      
1 1 1 -7  13 13 f 0  3.65735      0.581099    546.255   -30.9452     412.037   -30.9452     27.2846   149.055      
1 1 1 -7  13 14 o 18 2.93548      0.503589    491.424   170.848      368.48    170.848      15.4148   -9.15211     
1 1 1 -7  13 15 o 7  0.948351     0.436896    396.856   130.196      30.2486   130.196      141.176   -49.8044     
1 1 1 -7  13 16 o 18 0.41953      0.447554    169.646   19.8234      3.35873   19.8234      63.4497   -160.177     
1 1 1 -7  15 1  o 17 1.4898       0.318507    160.02    19.7097      5.56333   -160.29      76.0684   -160.29      
1 1 1 -7  15 2  o 17 0.307897     0.271211    168.101   131.111      ?         ?            ?         ?            
1 1 1 -7  15 3  o 9  0.966931     0.358863    181.078   170.64       40.5185   -9.36037     102.925   -9.36037     
1 1 1 -7  15 4  o 12 0.977715     0.270863    455.602   91.0898      116.158   -88.9102     265.093   -88.9102     
1 1 1 -7  15 5  o 5  0.775955     0.277577    214.385   -156.82      66.0329   23.1799      129.582   23.1799      
1 1 1 -7  15 6  o 16 0.291092     0.23924     89.1199   85.3022      ?         ?            ?         ?            
1 1 1 -7  15 7  o 17 0.345733     0.23352     216.835   80.2453      141.131   -99.7547     164.731   -99.7547     
1 1 1 -7  15 8  o 15 0.532356     0.310139    136.183   -65.6626     42.9373   114.337      78.9369   114.337      
1 1 1 -7  15 9  o 9  0.736788     0.40974     356.29    116.276      47.1237   -63.7243     169.308   -63.7243     
1 1 1 -7  15 10 o 15 0.900577     0.433054    145.546   94.9334      0.344732  94.9334      57.85     -85.0666     
1 1 1 -7  15 11 o 2  0.471967     0.437115    127.079   -98.4598     8.75176   81.5402      54.2229   81.5402      
1 1 1 -7  15 12 o 11 0.714746     0.392788    198.503   -128.18      23.2709   51.8201      88.0229   51.8201      
1 1 1 -7  15 13 o 19 1.50136      0.396796    345.571   -130.842     ?         ?            ?         ?            
1 1 1 -7  17 1  o 3  -0.388019    0.347642    185.711   103.587      120.974   -76.4128     132.829   -76.4128     
1 1 1 -7  17 2  o 15 0.73639      0.311881    434.637   -95.4558     5.95228   84.5442      171.976   84.5442      
1 1 1 -7  17 3  o 3  0.360703     0.297049    407.834   -166.587     177.912   13.4131      246.913   13.4131      
1 1 1 -7  17 4  o 5  1.55936      0.453712    392.068   93.2152      215.819   93.2152      42.878    -86.7848     
1 1 1 -7  17 5  o 12 0.808248     0.305872    296.2     130.61       49.6131   130.61       87.8329   -49.3902     
1 1 1 -7  17 6  o 10 1.77084      0.381184    399.818   -86.7448     322.193   -86.7448     11.0008   -86.7448     
1 1 1 -7  17 7  o 3  0.970905     0.380059    115.428   73.9516      ?         ?            ?         ?            
1 1 1 -6  0  1  o 4  83.5638      10.0476     433.424   0            2328.49   0            961.792   0            
1 1 1 -6  0  2  o 2  0.254605     0.267297    511.725   180          ?         ?            ?         ?            
1 1 1 -6  0  3  o 10 12.9106      0.777704    886.391   0            ?         ?            ?         ?            
1 1 1 -6  0  4  o 2  89.9644      3.57995     2027.27   0            3296.43   0            670.561   0            
1 1 1 -6  0  5  o 18 100.123      4.05345     2533.5    0            2349.11   0            30.2271   180          
1 1 1 -6  0  6  o 7  251.294      10.8331     3861.52   0            5211.29   0            822.218   0            
1 1 1 -6  0  7  o 1  136.041      5.79444     2127.14   180          4572.36   180          1336.52   180          
1 1 1 -6  0  8  o 12 253.146      11.8        4190.22   0            4521.75   0            440.069   0            
1 1 1 -6  0  9  o 19 0.650147     0.194872    362.516   0            ?         ?            ?         ?            
1 1 1 -6  0  10 o 4  43.6214      3.0784      2081.56   180          1903.44   180          68.9134   180          
1 1 1 -6  0  11 o 7  1.0453       0.245856    611.013   180          ?         ?            ?         ?            
1 1 1 -6  0  12 o 8  49.588       2.42753     2197.09   180          2074.35   180          135.259   180          
1 1 1 -6  0  13 o 12 3.86141      0.378237    1100.8    180          265.498   1.63971e-14  575.713   3.78086e-15  
1 1 1 -6  0  14 o 4  0.537647     0.282184    465.787   0            ?         ?            ?         ?            
1 1 1 -6  0  15 o 5  1.18598      0.325392    389.898   0            301.938   180          311.884   180          
1 1 1 -6  0  16 o 10 1.78843      0.512758    723.944   180          517.405   1.47605e-15  571.826   6.67785e-16  
1 1 1 -6  0  17 o 2  7.47177      0.674836    511.443   0            423.177   0            18.314    180          
1 1 1 -6  0  18 o 19 27.7743      2.11533     1119.2    0            1787.02   0            385.36    0            
1 1 1 -6  0  19 o 4  2.31334      0.517093    47.5936   0            0.929267  180          21.9415   180          
1 1 1 -6  0  20 f 0  2.99266      0.639804    440.705   0            41.5627   180          221.001   180          
1 1 1 -6  0  21 o 19 49.5645      2.70115     912.302   0            3069.2    0            1116.24   0            
1 1 1 -6  0  22 o 17 32.4347      2.03542     611.32    0            2561.84   0            1012.64   0            
1 1 1 -6  0  23 o 6  1.84983      0.67323     299.147   0            233.45    0            4.03956   180          
1 1 1 -6  0  24 o 7  0.24586      0.703353    172.387   0            52.4221   180          92.9986   180          
1 1 1 -6  2  1  o 11 90.4956      2.51805     1240.26   -6.9591      2696.65   -6.9591      751.438   -6.9591      
1 1 1 -6  2  2  f 0  29.8802      1.22844     1213.99   -133.587     695.361   -133.587     237.95    46.4126      
1 1 1 -6  2  3  o 16 33.6804      1.10034     927.24    -90.2951     429.607   89.7049      661.479   89.7049      
1 1 1 -6  2  4  o 1  88.2639      3.64763     2726.7    38.5016      2112.14   38.5016      242.767   -141.498     
1 1 1 -6  2  5  o 14 23.2334      1.22171     1859.6    137.227      177.006   137.227      777.259   -42.773      
1 1 1 -6  2  6  o 9  51.9352      1.69077     1519.53   -129.344     1725.62   -129.344     176.222   -129.344     
1 1 1 -6  2  7  o 18 121.974      3.6188      1958.17   82.6795      3815.75   82.6795      1047.76   82.6795      
1 1 1 -6  2  8  o 9  65.5051      2.37438     2244.93   -158.311     1992.89   -158.311     29.4838   -158.311     
1 1 1 -6  2  9  f 0  18.3523      0.87217     1401.18   -122.83      578.743   -122.83      307.756   57.1697      
1 1 1 -6  2  10 o 5  14.899       0.808501    1400.42   -30.6891     600.723   -30.6891     291.269   149.311      
1 1 1 -6  2  11 o 16 47.4869      1.5802      1931.38   -142.894     2030.49   -142.894     211.286   -142.894     
1 1 1 -6  2  12 o 16 27.574       1.05389     803.891   100.504      1815.78   100.504      580.27    100.504      
1 1 1 -6  2  13 o 1  25.2288      0.907651    1345.6    -117.223     1322.1    -117.223     121.349   -117.223     
1 1 1 -6  2  14 o 7  66.6911      2.71345     1691.88   170.429      2868.29   170.429      751.585   170.429      
1 1 1 -6  2  15 o 1  18.8912      0.992615    669.135   -27.0469     830.36    -27.0469     135.916   -27.0469     
1 1 1 -6  2  16 o 2  9.49387      0.764455    1037.84   67.2123      259.092   67.2123      324.423   -112.788     
1 1 1 -6  2  17 f 0  7.25064      0.483007    1284.89   -63.1437     164.897   116.856      662.882   116.856      
1 1 1 -6  2  18 o 13 97.255       2.7747      2153.62   -71.9141     3387.03   -71.9141     716.699   -71.9141     
1 1 1 -6  2  19 o 12 41.9084      1.60967     1573.06   -32.2543     2076.05   -32.2543     328.367   -32.2543     
1 1 1 -6  2  20 o 11 42.4075      1.6709      438.635   -22.1289     2896.29   -22.1289     1248.25   -22.1289     
1 1 1 -6  2  21 f 0  1.30413      0.334622    228.959   175.554      14.9713   -4.44605     112.203   -4.44605     
1 1 1 -6  2  22 o 12 2.06718      0.474494    542.469   67.1627      65.4126   67.1627      201.92    -112.837     
1 1 1 -6  2  23 o 6  4.18399      0.569108    328.35    -59.7223     626.726   -59.7223     182.127   -59.7223     
1 1 1 -6  2  24 o 15 1.92879      0.442977    443.401   -49.747      320.72    -49.747      9.93361   130.253      
1 1 1 -6  4  1  o 16 61.9664      1.93624     1322.47   104.633      1619.56   104.633      196.912   104.633      
1 1 1 -6  4  2  o 18 80.0029      2.99015     1813.81   109.105      2705.11   109.105      517.826   109.105      
1 1 1 -6  4  3  o 17 83.3305      3.01206     2707.24   151.035      1762.58   151.035      349.043   -28.9654     
1 1 1 -6  4  4  o 16 14.2292      0.734983    417.636   -15.8122     175.363   164.188      274.337   164.188      
1 1 1 -6  4  5  f 0  246.346      6.26073     5170.34   164.701      3870.56   164.701      334.72    -15.2986     
1 1 1 -6  4  6  o 5  11.8232      0.772649    730.835   115.51       133.051   -64.49       382.547   -64.49       
1 1 1 -6  4  7  o 2  1.79433      0.196078    204.921   77.976       ?         ?            ?         ?            
1 1 1 -6  4  8  o 10 4.61916      0.491052    241.375   62.6996      127.055   -117.3       166.087   -117.3       
1 1 1 -6  4  9  o 18 69.1197      2.50633     2344.27   -158.075     2478.18   -158.075     251.415   -158.075     
1 1 1 -6  4  10 o 3  2.96332      0.371788    123.094   -64.7861     22.6152   115.214      62.4265   115.214      
1 1 1 -6  4  11 o 6  6.36739      0.46607     902.251   85.0356      212.707   85.0356      261.149   -94.9644     
1 1 1 -6  4  12 o 12 49.0441      1.64347     2226.36   166.45       1844.61   166.45       28.9423   166.45       
1 1 1 -6  4  13 o 17 6.92969      0.410341    1032.6    9.88876      71.2236   9.88876      380.008   -170.111     
1 1 1 -6  4  14 o 19 34.3451      1.37406     1253.27   -176.19      1945.72   -176.19      453.975   -176.19      
1 1 1 -6  4  15 o 17 23.9287      1.20739     1066.65   -26.3017     1394.94   -26.3017     235.944   -26.3017     
1 1 1 -6  4  16 o 5  8.52923      0.61152     688.113   30.6454      ?         ?            ?         ?            
1 1 1 -6  4  17 o 12 1.77124      0.336791    487.914   34.7673      ?         ?            ?         ?            
1 1 1 -6  4  18 o 15 54.4594      2.63477     979.468   -47.8035     2843.37   -47.8035     979.393   -47.8035     
1 1 1 -6  4  19 o 12 33.3549      1.29645     1042.92   -79.5541     2087.34   -79.5541     571.198   -79.5541     
1 1 1 -6  4  20 o 18 20.3438      1.03377     816.064   61.5409      1587.58   61.5409      419.376   61.5409      
1 1 1 -6  4  21 o 8  7.89118      0.530714    633.503   -78.7177     844.331   -78.7177     138.767   -78.7177     
1 1 1 -6  4  22 o 18 1.89936      0.475173    201.728   -39.4654     209.667   -39.4654     21.4945   -39.4654     
1 1 1 -6  4  23 o 18 8.9713       0.673228    441.712   -15.176      1170.87   -15.176      412.219   -15.176      
1 1 1 -6  4  24 o 9  0.788296     0.334341    73.807    81.6251      ?         ?            ?         ?            
1 1 1 -6  6  1  o 19 1.3701       0.215407    568.748   -67.1468     ?         ?            ?         ?            
1 1 1 -6  6  2  o 9  1.06311      0.146595    1007.29   167.271      ?         ?            ?         ?            
1 1 1 -6  6  3  f 0  60.1518      2.17747     1090.45   -163.717     2525.76   -163.717     796.5     -163.717     
1 1 1 -6  6  4  o 13 10.563       0.679085    1033.84   137.772      56.4824   137.772      412.455   -42.2279     
1 1 1 -6  6  5  o 19 5.8968       0.486953    1193.58   39.471       509.009   -140.529     761.381   -140.529     
1 1 1 -6  6  6  o 1  6.32213      0.822126    493.15    36.7304      146.515   36.7304      135.105   -143.27      
1 1 1 -6  6  7  o 17 16.179       0.842816    1347.42   -17.6877     818.845   -17.6877     155.28    162.312      
1 1 1 -6  6  8  o 1  25.8912      1.37724     1480.39   -75.8842     1247.56   -75.8842     11.0339   -75.8842     
1 1 1 -6  6  9  o 4  19.354       0.875221    1823.51   40.2618      714.759   40.2618      385.671   -139.738     
1 1 1 -6  6  10 o 4  19.9643      0.838596    120.587   -97.8043     532.114   -97.8043     217.579   -97.8043     
1 1 1 -6  6  11 o 11 11.9622      0.651937    785.315   -68.8409     733.184   -68.8409     51.6933   -68.8409     
1 1 1 -6  6  12 o 15 7.68964      0.913453    990.132   172.177      264.999   172.177      270.914   -7.82308     
1 1 1 -6  6  13 o 7  5.82771      0.496307    924.556   -118.263     261.196   61.737       520.39    61.737       
1 1 1 -6  6  14 o 17 20.3756      1.06864     794.373   -92.658      1334.58   -92.658      318.613   -92.658      
1 1 1 -6  6  15 o 15 6.5091       0.467661    581.978   -7.46865     329.432   172.531      427.4     172.531      
1 1 1 -6  6  16 o 3  18.7362      0.863112    1313.58   76.599       955.15    76.599       118.699   -103.401     
1 1 1 -6  6  17 o 1  13.4147      0.769607    727.032   -84.9693     1097.06   -84.9693     220.395   -84.9693     
1 1 1 -6  6  18 o 12 25.1147      1.61956     1267.82   -62.9307     1504.57   -62.9307     177.552   -62.9307     
1 1 1 -6  6  19 o 11 4.86111      0.442983    535.549   -161.743     353.217   -161.743     69.101    18.2565      
1 1 1 -6  6  20 o 1  1.93682      0.381762    238.654   94.5741      63.7218   94.5741      75.2136   -85.4259     
1 1 1 -6  6  21 o 6  3.48126      0.411295    633.775   -7.93845     381.993   -7.93845     72.8995   172.062      
1 1 1 -6  6  22 o 13 -0.0343196   0.292597    295.78    -168.811     186.952   11.1887      209.933   11.1887      
1 1 1 -6  6  23 o 7  0.451153     0.307946    75.3179   54.1724      ?         ?            ?         ?            
1 1 1 -6  8  1  o 15 6.82005      0.490062    960.118   -36.253      235.218   -36.253      281.603   143.747      
1 1 1 -6  8  2  o 15 30.3321      1.87287     1778.53   156.347      1411.18   156.347      32.322    -23.6533     
1 1 1 -6  8  3  o 13 24.3682      1.07904     1388.97   108.982      1381.29   108.982      116.727   108.982      
1 1 1 -6  8  4  o 5  9.71717      0.704675    865.944   61.4775      303.507   61.4775      203.859   -118.523     
1 1 1 -6  8  5  f 0  15.7873      0.773156    1727.2    -91.9055     627.142   -91.9055     390.137   88.0945      
1 1 1 -6  8  6  o 10 10.9679      1.11016     327.508   -120.831     612.509   -120.831     173.954   -120.831     
1 1 1 -6  8  7  o 4  17.6858      1.08916     937.457   89.5199      1188.07   89.5199      217.871   89.5199      
1 1 1 -6  8  8  o 18 24.9093      1.43165     1796.36   -16.2371     1101.49   -16.2371     169.305   163.763      
1 1 1 -6  8  9  o 14 4.01408      0.483758    374.502   101.085      6.02224   -78.9152     154.464   -78.9152     
1 1 1 -6  8  10 o 12 0.697277     0.548279    449.499   -52.9106     ?         ?            ?         ?            
1 1 1 -6  8  11 o 14 17.4332      1.04747     1190.01   -23.3379     910.127   -23.3379     52.1546   156.662      
1 1 1 -6  8  12 o 19 4.20964      0.444572    507.423   -115.358     96.8696   64.6424      272.001   64.6424      
1 1 1 -6  8  13 o 10 14.7687      0.733366    1342.99   152.236      290.06    152.236      460.734   -27.7639     
1 1 1 -6  8  14 f 0  2.51849      0.413559    505.321   -48.1625     253.443   131.837      356.195   131.837      
1 1 1 -6  8  15 o 3  20.5585      0.903914    890.438   31.4459      1483.9    31.4459      339.504   31.4459      
1 1 1 -6  8  16 o 8  8.7239       0.883933    716.127   57.4924      706.49    57.4924      29.7876   57.4924      
1 1 1 -6  8  17 o 4  44.9503      1.65008     1325.55   -83.1349     2408.61   -83.1349     598.861   -83.1349     
1 1 1 -6  8  18 f 0  0.31993      0.270098    245.474   62.0295      181.968   -117.97      203.271   -117.97      
1 1 1 -6  8  19 o 18 2.11707      0.351511    519.486   -138.1       70.7329   -138.1       192.045   41.9002      
1 1 1 -6  8  20 o 12 0.521489     0.346306    372.685   -10.4229     136.164   169.577      219.609   169.577      
1 1 1 -6  8  21 o 7  1.12465      0.326316    199.041   94.7335      122.071   94.7335      16.7545   -85.2665     
1 1 1 -6  8  22 o 6  0.403882     0.344347    209.236   115.651      ?         ?            ?         ?            
1 1 1 -6  10 1  o 15 4.19769      0.362109    552.989   11.7765      17.8137   11.7765      213.733   -168.224     
1 1 1 -6  10 2  o 14 18.6778      1.26136     838.514   111.13       1230.58   111.13       277.155   111.13       
1 1 1 -6  10 3  o 7  83.8487      2.67719     3082.65   -107.617     2501.45   -107.617     3.24733   -107.617     
1 1 1 -6  10 4  o 12 2.5398       0.317899    479.995   54.2131      242.126   -125.787     316.542   -125.787     
1 1 1 -6  10 5  o 14 5.7002       0.439888    634.905   -143.046     198.297   -143.046     162.081   36.9536      
1 1 1 -6  10 6  o 17 12.8282      0.693841    791.827   -125.236     652.561   -125.236     4.41829   54.7638      
1 1 1 -6  10 7  o 18 16.2749      0.785953    1830.12   122.797      394.198   122.797      582.269   -57.2029     
1 1 1 -6  10 8  f 0  1.70713      0.475282    511.978   18.507       ?         ?            ?         ?            
1 1 1 -6  10 9  o 16 3.97218      0.437801    422.219   -90.8084     38.2645   89.1916      206.902   89.1916      
1 1 1 -6  10 10 o 16 54.9603      3.09493     1557.3    -85.955      2476.24   -85.955      534.949   -85.955      
1 1 1 -6  10 11 o 2  4.10322      0.678632    731.73    -76.8356     43.3867   -76.8356     310.598   103.164      
1 1 1 -6  10 12 o 19 5.78435      0.525079    621.078   38.7102      220.821   38.7102      170.881   -141.29      
1 1 1 -6  10 13 o 17 0.608119     0.332573    344.728   133.505      243.79    -46.4951     277.423   -46.4951     
1 1 1 -6  10 14 o 1  0.303786     0.494462    244.203   111.058      185.704   -68.9424     203.444   -68.9424     
1 1 1 -6  10 15 o 8  1.38106      0.336453    560.452   -90.676      146.115   89.324       329.592   89.324       
1 1 1 -6  10 16 o 12 3.9037       0.476539    1332.32   6.3455       204.207   -173.654     710.859   -173.654     
1 1 1 -6  10 17 o 17 0.994454     0.30204     604       -26.5287     171.003   153.471      350.802   153.471      
1 1 1 -6  10 18 o 15 5.05838      0.503885    285.839   24.5334      769.746   24.5334      267.49    24.5334      
1 1 1 -6  10 19 o 18 0.469218     0.273372    153.475   51.6303      55.7649   -128.37      88.2542   -128.37      
1 1 1 -6  10 20 o 1  0.356516     0.287441    296.155   155.414      ?         ?            ?         ?            
1 1 1 -6  12 1  o 2  7.19483      0.514912    694.925   25.8809      239.906   25.8809      191.884   -154.119     
1 1 1 -6  12 2  o 9  14.482       0.91693     1022.31   -131.015     848.423   -131.015     35.3899   48.9848      
1 1 1 -6  12 3  f 0  0.729679     0.283728    908.897   178.717      ?         ?            ?         ?            
1 1 1 -6  12 4  o 3  2.13642      0.354634    574.214   -179.163     258.497   0.837011     389.047   0.837011     
1 1 1 -6  12 5  f 0  19.753       1.03083     1196.55   26.6445      1049.88   26.6445      17.8988   -153.355     
1 1 1 -6  12 6  f 0  3.71834      0.798856    550.833   37.6138      66.3809   -142.386     283.342   -142.386     
1 1 1 -6  12 7  o 19 2.99236      0.363113    952.008   -115.953     250.536   64.0472      557.076   64.0472      
1 1 1 -6  12 8  o 14 1.42957      0.322411    327.177   145.499      190.392   -34.5008     243.168   -34.5008     
1 1 1 -6  12 9  o 10 0.96489      0.343881    361.242   13.6439      211.214   -166.356     268.596   -166.356     
1 1 1 -6  12 10 o 15 8.42705      0.747119    725.607   35.8386      686.697   35.8386      15.551    35.8386      
1 1 1 -6  12 11 o 19 4.00712      0.505219    428.751   56.3354      341.259   56.3354      24.3348   -123.665     
1 1 1 -6  12 12 o 3  1.45632      0.681895    231.831   -139.721     61.7282   40.2793      137.127   40.2793      
1 1 1 -6  12 13 o 19 0.335084     0.349729    667.12    136.096      430.568   -43.9042     520.25    -43.9042     
1 1 1 -6  12 14 o 15 0.880069     0.607081    242.457   -17.5751     42.9723   162.425      129.238   162.425      
1 1 1 -6  12 15 f 0  12.4352      0.936194    921.903   -30.7486     1097.66   -30.7486     160.689   -30.7486     
1 1 1 -6  12 16 o 1  1.54207      0.450632    192.384   179.155      185.518   179.155      15.8038   179.155      
1 1 1 -6  12 17 o 10 2.29185      0.461186    286.448   -88.0342     422.828   -88.0342     99.7547   -88.0342     
1 1 1 -6  12 18 o 6  0.614952     0.451914    71.9006   -14.0875     ?         ?            ?         ?            
1 1 1 -6  14 1  o 8  4.71798      0.46993     612.805   102.156      284.138   102.156      135.2     -77.8442     
1 1 1 -6  14 2  o 7  11.0906      0.723032    541.754   168.814      1010.61   168.814      260.01    168.814      
1 1 1 -6  14 3  o 8  3.35695      0.373403    411.826   -114.747     175.574   -114.747     98.9537   65.2527      
1 1 1 -6  14 4  f 0  2.61925      0.347666    623.329   -55.6981     49.1942   -55.6981     258.733   124.302      
1 1 1 -6  14 5  o 5  2.97707      0.377233    345.488   -21.2852     87.6108   -21.2852     113.765   158.715      
1 1 1 -6  14 6  o 19 0.770442     0.242637    472.907   -122.642     418.166   57.3582      425.576   57.3582      
1 1 1 -6  14 7  o 19 2.11203      0.561078    414.345   47.0807      93.1731   -132.919     236.711   -132.919     
1 1 1 -6  14 8  o 15 1.0895       0.274011    385.449   140.528      99.2876   -39.4719     226.043   -39.4719     
1 1 1 -6  14 9  o 11 1.94641      0.460625    626.16    21.7792      36.9554   21.7792      264.486   -158.221     
1 1 1 -6  14 10 o 13 1.49775      0.477842    245.31    18.1595      98.4929   18.1595      58.6668   -161.841     
1 1 1 -6  14 11 o 1  4.20122      0.510512    482.949   64.1108      573.714   64.1108      82.7186   64.1108      
1 1 1 -6  14 12 o 13 4.82833      0.566805    628.3     -103.298     573.19    -103.298     31.8104   -103.298     
1 1 1 -6  14 13 f 0  0.285559     0.318183    619.25    142.216      311.478   -37.7835     400.1     -37.7835     
1 1 1 -6  14 14 o 17 0.601379     0.37887     209.534   -32.1852     27.435    -32.1852     67.3493   147.815      
1 1 1 -6  14 15 o 17 1.02741      0.403256    90.6771   -109.436     ?         ?            ?         ?            
1 1 1 -6  16 1  o 2  0.11386      0.278935    256.942   -98.3128     153.236   81.6872      184.95    81.6872      
1 1 1 -6  16 2  o 15 1.15171      0.398509    58.8541   -1.0528      25.621    -1.0528      11.8858   178.947      
1 1 1 -6  16 3  o 1  1.94132      0.536825    402.897   57.1049      228.441   57.1049      53.3904   -122.895     
1 1 1 -6  16 4  o 14 1.01207      0.307206    165.497   172.795      52.4308   172.796      41.8145   -7.2045      
1 1 1 -6  16 5  o 8  0.417614     0.272848    39.6889   -169.133     12.3729   10.8674      22.2734   10.8674      
1 1 1 -6  16 6  o 16 -0.0712599   0.190504    239.447   -95.5661     167.024   84.4339      179.214   84.4339      
1 1 1 -6  16 7  o 6  0.11751      0.277662    301.409   -155.388     175.898   24.6118      207.009   24.6118      
1 1 1 -6  16 8  o 19 0.392312     0.305385    203.919   4.27129      48.2825   -175.729     103.911   -175.729     
1 1 1 -6  16 9  o 19 0.123419     0.276628    166.263   37.1429      79.731    -142.857     103.979   -142.857     
1 1 1 -6  16 10 o 13 0.303236     0.355148    298.836   -162.349     50.6541   17.6509      137.769   17.6509      
1 1 1 -5  1  1  o 12 7.51706      1.2565      2078.64   -8.78099     1012.83   171.219      1483.18   171.219      
1 1 1 -5  1  2  o 10 94.2345      2.65234     1212.64   85.3619      3328.84   85.3619      1087.6    85.3619      
1 1 1 -5  1  3  o 10 203.507      9.88783     3020.58   -8.52264     4706.76   -8.52264     899.222   -8.52264     
1 1 1 -5  1  4  o 17 72.1095      2.3113      1934.62   -127.335     1155.08   -127.335     354.437   52.6645      
1 1 1 -5  1  5  o 9  6.41277      0.475313    952.233   -89.6996     ?         ?            ?         ?            
1 1 1 -5  1  6  o 16 71.783       2.39116     1013.29   53.0949      1995.92   53.0949      532.043   53.0949      
1 1 1 -5  1  7  o 10 159.977      5.34191     3041.42   -93.632      3932.85   -93.632      613.682   -93.632      
1 1 1 -5  1  8  o 11 44.7181      1.70776     1815.59   46.1743      1451.71   46.1743      61.3016   -133.826     
1 1 1 -5  1  9  o 8  14.5932      0.715314    1671.6    42.2785      214.022   42.2785      607.486   -137.722     
1 1 1 -5  1  10 o 1  10.0774      1.40888     750.491   22.9237      125.707   22.9237      255.146   -157.076     
1 1 1 -5  1  11 o 9  9.2164       0.550904    1509.13   66.9262      134.752   66.9262      563.814   -113.074     
1 1 1 -5  1  12 o 10 4.74065      0.413842    1280.18   178.67       358.358   -1.32954     703.613   -1.32954     
1 1 1 -5  1  13 o 9  26.0915      1.20011     1271.73   -136.092     1563.02   -136.092     270.358   -136.092     
1 1 1 -5  1  14 o 6  2.99428      0.362674    651.85    -148.136     ?         ?            ?         ?            
1 1 1 -5  1  15 f 0  9.68216      0.585371    1192.82   94.9988      71.7253   94.9988      458.15    -85.0012     
1 1 1 -5  1  16 o 17 2.93806      0.323534    154.052   -104.2       ?         ?            ?         ?            
1 1 1 -5  1  17 o 1  39.6374      1.82341     768.384   1.07699      2124.5    1.07699      716.183   1.07699      
1 1 1 -5  1  18 o 9  53.2456      1.96393     1091.42   -140.864     2803.13   -140.864     906.173   -140.864     
1 1 1 -5  1  19 o 5  9.72821      0.820214    233.98    74.0928      533.915   74.0928      161.393   74.0928      
1 1 1 -5  1  20 o 16 4.67424      0.54903     615.931   -78.0558     ?         ?            ?         ?            
1 1 1 -5  1  21 o 4  3.9456       0.45206     492       140.262      248.489   140.262      101.19    -39.7383     
1 1 1 -5  1  22 o 19 14.4703      0.82485     197.095   143.236      1503.22   143.236      665.629   143.236      
1 1 1 -5  1  23 o 5  5.30297      0.752522    648.018   46.7983      411.416   46.7983      54.6872   -133.202     
1 1 1 -5  1  24 o 4  1.70103      0.411983    364.428   147.908      281.721   147.908      0.184368  147.908      
1 1 1 -5  3  1  o 18 97.9467      2.19835     1583.16   133.988      3147.72   133.988      813.077   133.988      
1 1 1 -5  3  2  o 11 6.16732      0.452406    998.167   11.9284      873.861   -168.072     914.485   -168.072     
1 1 1 -5  3  3  o 5  5.75292      0.534402    1738.49   60.974       ?         ?            ?         ?            
1 1 1 -5  3  4  o 12 23.1929      1.16116     1710.67   -93.3881     359.009   86.6119      974.57    86.6119      
1 1 1 -5  3  5  o 5  143.016      4.66749     3838.07   7.34775      2913.31   7.34775      283.786   -172.652     
1 1 1 -5  3  6  o 11 86.6681      2.8564      1523.63   153.621      3008.25   153.621      830.653   153.621      
1 1 1 -5  3  7  o 12 27.52        0.85025     2517.36   167.656      404.811   167.656      887.863   -12.3443     
1 1 1 -5  3  8  o 3  43.0102      1.38743     1376.95   31.2087      1972.86   31.2087      397.486   31.2087      
1 1 1 -5  3  9  o 11 56.4542      2.12818     1732.52   86.165       2287.45   86.165       408.533   86.165       
1 1 1 -5  3  10 o 1  68.3725      1.96438     1851.65   156.444      2697.69   156.444      571.339   156.444      
1 1 1 -5  3  11 o 8  3.87526      0.319683    228.885   157.713      16.1089   157.713      86.3627   -22.2873     
1 1 1 -5  3  12 o 9  19.7158      0.902891    684.326   -13.5831     1347.05   -13.5831     396.913   -13.5831     
1 1 1 -5  3  13 o 5  1.07686      0.261396    461.55    62.4383      ?         ?            ?         ?            
1 1 1 -5  3  14 o 11 10.5926      0.627952    517.28    -25.3942     648.169   -25.3942     113.442   -25.3942     
1 1 1 -5  3  15 o 15 97.3351      4.09652     2691.05   101.929      3044.11   101.929      380.961   101.929      
1 1 1 -5  3  16 f 0  3.23291      0.389215    156.913   43.939       48.3811   -136.061     93.7418   -136.061     
1 1 1 -5  3  17 o 4  9.93157      0.751194    546.211   108.592      278.785   108.592      108.338   -71.4077     
1 1 1 -5  3  18 o 11 19.8723      0.96001     640.992   -102.665     1434.13   -102.665     426.932   -102.665     
1 1 1 -5  3  19 o 4  1.64947      0.330027    779.629   17.067       272.571   -162.933     488.352   -162.933     
1 1 1 -5  3  20 o 9  4.83383      0.540032    712.48    -98.2451     345.04    -98.2451     153.477   81.7549      
1 1 1 -5  3  21 o 6  3.55203      0.815881    387       13.7672      369.573   13.7672      9.13795   13.7672      
1 1 1 -5  3  22 o 19 2.53658      0.393775    429.705   139.682      141.997   139.682      110.814   -40.3182     
1 1 1 -5  3  23 o 7  4.74014      0.495824    251.579   -144.939     608.995   -144.939     205.013   -144.939     
1 1 1 -5  3  24 f 0  3.94567      0.645401    338.129   -128.203     ?         ?            ?         ?            
1 1 1 -5  5  1  o 7  11.8808      1.06653     1220.85   -52.8528     ?         ?            ?         ?            
1 1 1 -5  5  2  o 16 42.9529      1.92077     1431.8    49.4874      1383.22   49.4874      59.7226   49.4874      
1 1 1 -5  5  3  o 10 10.9682      0.569303    1610.99   -53.4153     689.656   126.585      1049.92   126.585      
1 1 1 -5  5  4  o 2  43.6575      1.64934     1571.9    97.0237      1756.53   97.0237      196.82    97.0237      
1 1 1 -5  5  5  o 9  43.4731      1.29937     2261.45   -135.604     1112.89   -135.604     415.411   44.3957      
1 1 1 -5  5  6  o 9  46.7605      2.06412     2035.26   113.273      1664.31   113.273      36.6009   -66.7273     
1 1 1 -5  5  7  o 9  8.12702      0.843746    1131.44   -166.25      53.9812   -166.25      453.204   13.7496      
1 1 1 -5  5  8  o 14 2.87415      0.287644    862.213   171.91       ?         ?            ?         ?            
1 1 1 -5  5  9  o 17 8.5979       0.503425    909.072   -47.2384     284.079   -47.2384     235.907   132.762      
1 1 1 -5  5  10 o 19 17.3388      0.87317     1031.21   -92.299      908.876   -92.299      33.1934   -92.299      
1 1 1 -5  5  11 o 9  30.6074      1.23756     1909.8    92.7762      1357.07   92.7762      89.4664   -87.2238     
1 1 1 -5  5  12 o 15 20.4731      1.00796     1174.85   32.7991      1239.26   32.7991      148.313   32.7991      
1 1 1 -5  5  13 o 17 3.18921      0.58794     655.954   137.936      376.658   -42.0639     456.734   -42.0639     
1 1 1 -5  5  14 o 12 37.6927      1.31927     1699.81   -138.849     1604.82   -138.849     79.1631   -138.849     
1 1 1 -5  5  15 o 10 27.4026      1.16458     1333.53   161.51       1426.06   161.51       121.844   161.51       
1 1 1 -5  5  16 o 8  9.61689      0.624165    893.284   -5.36021     547.146   -5.36021     131.367   174.64       
1 1 1 -5  5  17 o 19 42.0336      2.14731     1067.15   29.3808      2409.44   29.3808      721.308   29.3808      
1 1 1 -5  5  18 o 7  7.00734      0.515718    817.019   -163.061     487.159   -163.061     125.09    16.9386      
1 1 1 -5  5  19 o 4  10.179       0.688154    1028.63   -40.303      614.14    -40.303      162.224   139.697      
1 1 1 -5  5  20 o 5  9.62625      1.19909     364.85    -148.45      1059.65   -148.45      363.032   -148.45      
1 1 1 -5  5  21 o 3  0.599395     0.316154    170.208   117.387      58.3407   -62.6126     102.93    -62.6126     
1 1 1 -5  5  22 o 3  0.0291281    0.247725    391.536   -80.0612     ?         ?            ?         ?            
1 1 1 -5  5  23 o 11 3.79802      0.558614    485.317   80.1979      407.583   80.1979      16.3336   80.1979      
1 1 1 -5  7  1  o 3  16.9778      0.732055    979.196   -54.8123     854.508   -54.8123     11.8919   -54.8123     
1 1 1 -5  7  2  o 5  5.40482      0.382336    1072.04   -78.8361     104.561   101.164      506.498   101.164      
1 1 1 -5  7  3  o 4  55.8142      2.18495     1745.28   47.9236      2460.91   47.9236      492.678   47.9236      
1 1 1 -5  7  4  o 10 18.5047      0.997478    943.456   -166.574     1141.27   -166.574     173.328   -166.574     
1 1 1 -5  7  5  o 16 20.484       1.5657      1076.44   -158.566     1306.02   -158.566     202.447   -158.566     
1 1 1 -5  7  6  o 7  19.2398      1.07601     1310.96   -157.937     1077.96   -157.937     4.78903   22.0634      
1 1 1 -5  7  7  o 2  30.9532      1.33153     1381.07   42.6425      1770.03   42.6425      318.983   42.6425      
1 1 1 -5  7  8  o 19 1.24256      0.281621    487.411   6.21191      ?         ?            ?         ?            
1 1 1 -5  7  9  o 5  10.9698      0.750173    1504.92   -46.6407     45.0561   -46.6407     580.972   133.359      
1 1 1 -5  7  10 o 2  6.499        0.487921    170.349   -84.4408     15.874    -84.4408     60.4837   95.5592      
1 1 1 -5  7  11 o 2  27.2324      1.38015     1281.14   167.838      1600.43   167.838      276.641   167.838      
1 1 1 -5  7  12 o 5  2.05969      0.313229    298.352   -26.909      ?         ?            ?         ?            
1 1 1 -5  7  13 o 11 60.3166      2.87508     1664.56   111.003      2600.94   111.003      570.988   111.003      
1 1 1 -5  7  14 o 12 5.21056      0.426033    746.198   -140.241     573.123   39.7588      622.734   39.7588      
1 1 1 -5  7  15 o 16 11.9899      0.646639    715.992   115.129      630.815   115.129      9.73159   -64.8707     
1 1 1 -5  7  16 o 6  35.3606      1.6213      996.312   139.17       2210.34   139.17       655.061   139.17       
1 1 1 -5  7  17 o 6  14.956       0.998477    340.373   110.355      1249.4    110.355      470.808   110.355      
1 1 1 -5  7  18 o 12 13.8279      0.790202    731.921   -136.448     1211.32   -136.448     270.601   -136.448     
1 1 1 -5  7  19 o 13 0.813746     0.404985    387.975   143.852      138.314   -36.1482     245.625   -36.1482     
1 1 1 -5  7  20 o 9  0.955048     0.338223    333.906   157.233      ?         ?            ?         ?            
1 1 1 -5  7  21 o 12 1.61977      0.334646    674.452   -176.554     68.5112   -176.554     235.135   3.446        
1 1 1 -5  7  22 o 2  0.650445     0.298797    286.257   -12.6885     8.06138   -12.6885     106.358   167.311      
1 1 1 -5  9  1  o 8  33.5439      1.50305     1579.86   -96.6254     1624.62   -96.6254     174.015   -96.6254     
1 1 1 -5  9  2  o 14 2.02969      0.22149     1062.42   13.3966      816.167   -166.603     836.592   -166.603     
1 1 1 -5  9  3  o 9  1.35037      0.440138    818.134   3.63235      503.971   -176.368     581.085   -176.368     
1 1 1 -5  9  4  o 7  26.3927      1.18851     1739.35   -145.405     1239.63   -145.405     77.924    34.5951      
1 1 1 -5  9  5  o 2  7.05677      0.447659    1281.47   85.7631      38.7388   -94.2369     532.744   -94.2369     
1 1 1 -5  9  6  f 0  17.4451      1.07662     811.105   112.35       1229.22   112.35       288.921   112.35       
1 1 1 -5  9  7  o 16 7.13631      0.453743    845.277   146.302      306.921   146.302      188.836   -33.6983     
1 1 1 -5  9  8  o 9  4.59147      0.977753    733.841   122.653      54.9273   122.653      274.68    -57.3469     
1 1 1 -5  9  9  o 12 9.56224      0.894231    920.357   72.8136      465.909   72.8136      155.418   -107.186     
1 1 1 -5  9  10 o 2  26.5414      1.47306     799.014   -126.846     1712.27   -126.846     509.063   -126.846     
1 1 1 -5  9  11 o 17 5.8017       0.772898    624.826   151.328      116.856   151.328      220.178   -28.672      
1 1 1 -5  9  12 o 10 13.3682      1.06024     437.278   69.8457      878.614   69.8457      241.261   69.8457      
1 1 1 -5  9  13 o 9  8.69792      0.760781    385.327   70.4248      526.865   70.4248      88.5497   70.4248      
1 1 1 -5  9  14 o 9  18.5609      0.915126    971.698   -132.858     1240.32   -132.858     181.337   -132.858     
1 1 1 -5  9  15 o 13 4.68451      0.822999    196.201   28.3885      207.783   28.3885      15.2218   28.3885      
1 1 1 -5  9  16 o 17 2.75069      0.388354    677.585   162.65       49.5341   162.65       284.814   -17.3501     
1 1 1 -5  9  17 o 10 8.40585      0.592352    933.708   123.942      635.685   123.942      109.47    -56.0577     
1 1 1 -5  9  18 o 16 2.20322      0.382431    27.9994   -125.83      31.3265   -125.83      3.34043   -125.83      
1 1 1 -5  9  19 o 11 0.515661     0.300007    355.575   30.7253      124.559   -149.275     208.041   -149.275     
1 1 1 -5  9  20 o 3  2.68005      0.438123    570.878   -167.262     355.715   -167.262     46.2494   12.7381      
1 1 1 -5  9  21 o 4  1.91985      0.69529     146.68    -46.2596     ?         ?            ?         ?            
1 1 1 -5  11 1  o 18 2.76889      0.42065     918.659   -61.6673     440.796   118.333      608.568   118.333      
1 1 1 -5  11 2  o 13 7.80317      0.538447    1093.38   -3.22264     223.999   -3.22264     351.813   176.777      
1 1 1 -5  11 3  o 3  23.3968      1.1419      1553.49   -45.1601     1062.9    -45.1601     132.245   134.84       
1 1 1 -5  11 4  o 13 26.1605      1.38764     1334.43   119.329      1370.74   119.329      109.453   119.329      
1 1 1 -5  11 5  o 17 8.83018      0.491268    1349.75   -161.098     34.876    -161.098     572.46    18.9022      
1 1 1 -5  11 6  f 0  3.37868      0.30074     313.741   127.081      33.4859   -52.9194     155.746   -52.9194     
1 1 1 -5  11 7  o 6  11.1823      1.0137      107.428   -151.753     177.091   -151.753     40.3467   -151.753     
1 1 1 -5  11 8  o 13 3.54658      0.399536    288.383   71.6759      31.1049   -108.324     146.096   -108.324     
1 1 1 -5  11 9  o 14 3.86786      0.56462     507.029   95.7958      ?         ?            ?         ?            
1 1 1 -5  11 10 o 19 21.8851      1.53687     1401.76   -117.011     1156.7    -117.011     56.8493   62.9891      
1 1 1 -5  11 11 o 6  4.8531       0.491579    664.209   -39.3683     240.029   -39.3683     179.816   140.632      
1 1 1 -5  11 12 o 10 3.98295      1.2286      474.541   129.421      251.47    129.421      88.5975   -50.5793     
1 1 1 -5  11 13 o 4  5.15576      0.971068    396.191   -36.0283     455.407   -36.0283     47.3229   -36.0283     
1 1 1 -5  11 14 o 8  3.67952      0.59937     473.024   131.909      333.271   131.909      50.4083   -48.0911     
1 1 1 -5  11 15 o 19 3.61808      0.535766    314.529   158.272      440.353   158.272      77.6211   158.272      
1 1 1 -5  11 16 o 9  1.27706      0.39633     427.831   -173.303     31.8603   -173.303     168.992   6.69717      
1 1 1 -5  11 17 o 11 2.25106      0.348811    583.125   55.3892      227.831   55.3892      122.893   -124.611     
1 1 1 -5  11 18 o 2  1.00599      0.279914    602.249   -30.4433     23.2428   149.557      247.801   149.557      
1 1 1 -5  11 19 o 11 1.49012      0.457281    305.853   -167.443     ?         ?            ?         ?            
1 1 1 -5  13 1  o 17 5.92763      0.475909    190.882   -5.95594     170.02    -5.95594     1.52631   174.044      
1 1 1 -5  13 2  o 16 9.31401      0.476533    1009.26   27.0256      548.209   27.0256      183.221   -152.974     
1 1 1 -5  13 3  o 7  11.0805      0.632199    1015.16   -39.5603     630.985   -39.5603     144.08    140.44       
1 1 1 -5  13 4  o 1  8.53943      0.735182    378.657   -171.736     614.148   -171.736     135.88    -171.736     
1 1 1 -5  13 5  o 15 2.55935      0.407822    529.522   163.365      240.778   -16.6349     359.45    -16.6349     
1 1 1 -5  13 6  o 7  5.21271      0.526908    629.904   36.768       296.633   36.768       135.85    -143.232     
1 1 1 -5  13 7  o 7  9.99788      0.803964    649.701   -74.9197     869.259   -74.9197     141.21    -74.9197     
1 1 1 -5  13 8  o 4  4.5338       0.624937    595.226   72.7403      332.012   72.7403      103.888   -107.26      
1 1 1 -5  13 9  o 18 10.7759      0.727055    1171.51   -87.8407     620.266   -87.8407     224.52    92.1593      
1 1 1 -5  13 10 o 10 3.21642      0.517193    309.231   -60.8341     289.143   -60.8341     2.70739   -60.8341     
1 1 1 -5  13 11 o 9  1.74257      0.553092    220.41    32.1838      58.3134   32.1838      71.5319   -147.816     
1 1 1 -5  13 12 f 0  5.81647      0.644056    367.07    -7.26756     752.062   -7.26756     212.229   -7.26756     
1 1 1 -5  13 13 o 11 2.7984       0.526723    431.97    -9.69902     210.885   -9.69902     78.8688   170.301      
1 1 1 -5  13 14 o 1  1.81024      0.456223    517.617   -156.29      136.764   -156.29      141.681   23.7096      
1 1 1 -5  13 15 o 13 0.416802     0.395651    205.162   52.3307      77.4612   -127.669     119.482   -127.669     
1 1 1 -5  13 16 o 8  0.0838731    0.393254    44.3665   -109.215     12.362    70.7852      23.1884   70.7852      
1 1 1 -5  15 1  o 7  4.49216      0.481284    735.35    78.7008      286.795   78.7008      193.617   -101.299     
1 1 1 -5  15 2  o 6  0.544498     0.331383    135.76    22.1988      71.2899   -157.801     97.813    -157.801     
1 1 1 -5  15 3  o 7  1.67855      0.550511    502.905   -50.2004     63.0157   129.8        261.321   129.8        
1 1 1 -5  15 4  o 6  2.82295      0.36693     253.158   -36.3941     279.571   -36.3941     24.6125   -36.3941     
1 1 1 -5  15 5  f 0  0.0640648    0.230187    425.263   -64.5419     332.946   115.458      358.313   115.458      
1 1 1 -5  15 6  o 1  0.975491     0.27363     412.63    -12.1709     66.9437   167.829      216.939   167.829      
1 1 1 -5  15 7  o 13 -0.0341291   0.226764    143.681   94.5747      110.812   -85.4253     117.901   -85.4253     
1 1 1 -5  15 8  o 5  0.0687247    0.165035    418.1     56.027       299.789   -123.973     326.546   -123.973     
1 1 1 -5  15 9  o 2  0.672553     0.522791    545.119   -154.248     136.881   25.7524      291.579   25.7524      
1 1 1 -5  15 10 o 16 0.636184     0.39565     159.21    12.8353      17.6459   -167.165     72.3038   -167.165     
1 1 1 -5  15 11 o 16 0.606214     0.480984    135.208   -75.8423     5.85564   -75.8423     50.1059   104.158      
1 1 1 -5  15 12 o 18 1.08558      0.423407    414.09    34.4105      91.3862   34.4105      113.604   -145.589     
1 1 1 -5  15 13 o 8  0.892098     0.374042    174.755   -9.73689     ?         ?            ?         ?            
1 1 1 -5  17 1  f 0  0.869306     0.468551    390.427   14.5849      35.1345   14.5849      134.765   -165.415     
1 1 1 -5  17 2  o 16 1.26978      0.350394    515.533   -3.34125     99.4002   -3.34125     151.068   176.659      
1 1 1 -5  17 3  o 2  0.694028     0.33903     211.423   -77.4961     18.9162   -77.4961     72.561    102.504      
1 1 1 -5  17 4  o 16 0.121158     0.320827    118.363   -159.594     68.8704   20.4062      80.0383   20.4062      
1 1 1 -5  17 5  o 18 0.200108     0.313159    260.513   -53.7059     88.41     126.294      143.452   126.294      
1 1 1 -5  17 6  f 0  1.14915      0.362274    474.526   80.1189      126.065   80.1189      115.275   -99.8811     
1 1 1 -5  17 7  o 8  0.865949     0.389434    177.147   -92.6891     ?         ?            ?         ?            
1 1 1 -4  0  1  o 6  0.00232331   0.0257268   745.488   0            ?         ?            ?         ?            
1 1 1 -4  0  2  o 14 37.5632      5.14418     1489.18   0            1744.73   0            173.052   0            
1 1 1 -4  0  3  o 15 1.21418      0.183249    60.5355   0            ?         ?            ?         ?            
1 1 1 -4  0  4  o 4  106.3        3.8572      3009.37   180          2748.85   180          77.566    2.55681e-13  
1 1 1 -4  0  5  o 7  225.616      7.46231     3469.56   180          5064.56   180          878.966   180          
1 1 1 -4  0  6  o 10 5.50782      0.634845    191.771   0            108.967   180          143.222   180          
1 1 1 -4  0  7  o 13 36.5075      2.2775      1889.33   0            1399.84   0            144.438   180          
1 1 1 -4  0  8  o 10 6.29121      2.11702     81.5484   0            ?         ?            ?         ?            
1 1 1 -4  0  9  o 16 3.61992      0.370793    919.268   180          681.394   1.08426e-15  734.04    5.03249e-16  
1 1 1 -4  0  10 o 6  5.20622      0.666028    857.934   180          34.9843   1.38924e-13  381.312   6.37295e-15  
1 1 1 -4  0  11 o 7  3.77801      0.405521    853.645   180          ?         ?            ?         ?            
1 1 1 -4  0  12 o 9  27.5851      2.297       1911.13   0            1181.6    0            193.229   180          
1 1 1 -4  0  13 o 10 1.85126      0.338274    585.56    180          ?         ?            ?         ?            
1 1 1 -4  0  14 o 14 73.1606      3.57319     2096.4    0            3036.05   0            675.705   0            
1 1 1 -4  0  15 o 4  18.138       1.19188     1395.32   180          1103.44   180          25.1947   3.14325e-13  
1 1 1 -4  0  16 o 19 12.5002      1.04095     691.51    0            794.548   0            97.4875   0            
1 1 1 -4  0  17 o 13 1.06794      0.306742    320.383   0            ?         ?            ?         ?            
1 1 1 -4  0  18 o 11 5.69578      1.17598     30.3801   180          ?         ?            ?         ?            
1 1 1 -4  0  19 o 12 1.14239      0.461348    368.567   180          ?         ?            ?         ?            
1 1 1 -4  0  20 o 16 1.33654      0.570307    158.093   180          ?         ?            ?         ?            
1 1 1 -4  0  21 o 14 1.13377      0.496314    46.1165   180          15.1534   1.25552e-14  28.7106   3.3133e-15   
1 1 1 -4  0  22 o 4  12.4181      1.00371     287.549   180          1578.26   180          663.597   180          
1 1 1 -4  0  23 o 3  13.8917      1.17653     376.428   180          1746.63   180          721.995   180          
1 1 1 -4  0  24 o 4  5.1075       0.69626     279.046   0            986.319   0            385.419   0            
1 1 1 -4  2  1  o 4  71.4381      1.95896     1019.67   50.6991      2767.45   50.6991      894.714   50.6991      
1 1 1 -4  2  2  o 18 97.8464      2.14495     1820.26   -125.075     2935.55   -125.075     590.758   -125.075     
1 1 1 -4  2  3  o 6  1.9121       0.245055    1367.63   117.553      ?         ?            ?         ?            
1 1 1 -4  2  4  o 13 8.19344      0.460113    1240.69   149.963      1182.57   -30.0365     1183.72   -30.0365     
1 1 1 -4  2  5  o 17 46.1533      1.6956      1496.3    -174.002     1377.55   -174.002     9.62046   5.99813      
1 1 1 -4  2  6  o 18 133.342      3.79051     3895.01   -127.305     2205.34   -127.305     660.338   52.6955      
1 1 1 -4  2  7  o 1  162.318      3.78436     3595.51   -38.4294     3667.75   -38.4294     253.306   -38.4294     
1 1 1 -4  2  8  o 15 55.8856      1.5828      1550.66   122.172      2245.99   122.172      454.942   122.172      
1 1 1 -4  2  9  o 1  38.5168      1.52014     1686      -2.92512     1609.62   -2.92512     86.3022   -2.92512     
1 1 1 -4  2  10 o 7  7.07238      0.566806    1284.2    -79.2431     476.237   100.757      780.584   100.757      
1 1 1 -4  2  11 o 9  5.94263      0.465577    696.687   145.854      63.0631   -34.1457     321.421   -34.1457     
1 1 1 -4  2  12 o 6  6.40065      0.419043    745.266   -120.349     133.697   -120.349     236.696   59.6508      
1 1 1 -4  2  13 o 3  37.4135      1.39442     1218.53   -0.243963    2109.56   -0.243963    566.163   -0.243963    
1 1 1 -4  2  14 o 4  42.1643      2.2726      1969.94   -43.2656     1683.39   -43.2656     46.2892   -43.2656     
1 1 1 -4  2  15 o 5  71.8056      2.07656     2018.5    -110.26      2785.28   -110.26      548.529   -110.26      
1 1 1 -4  2  16 o 11 0.809962     0.342085    935.288   109.365      ?         ?            ?         ?            
1 1 1 -4  2  17 f 0  1.01779      0.236414    630.164   92.1118      ?         ?            ?         ?            
1 1 1 -4  2  18 o 19 36.0727      1.40376     977.836   78.6909      2188.97   78.6909      651.125   78.6909      
1 1 1 -4  2  19 o 5  35.6226      1.39734     1097.94   -149.862     2131.71   -149.862     570.507   -149.862     
1 1 1 -4  2  20 o 9  39.8745      2.22388     1535.63   52.3796      1778.15   52.3796      188.586   52.3796      
1 1 1 -4  2  21 o 4  4.54304      0.424964    328.737   165.879      475.879   165.879      87.8005   165.879      
1 1 1 -4  2  22 o 18 8.31845      0.623089    432.307   102.648      1040.4    102.648      334.267   102.648      
1 1 1 -4  2  23 o 13 2.38774      0.420367    258.871   127.713      204.874   127.713      0.682633  -52.287      
1 1 1 -4  2  24 o 4  0.729353     0.354076    151.507   95.0796      19.1899   95.0796      48.3403   -84.9204     
1 1 1 -4  4  1  o 2  91.66        3.46918     2230.4    159.155      2783.35   159.155      352.739   159.155      
1 1 1 -4  4  2  o 15 60.8953      1.86779     2489.65   -48.8489     1507.54   -48.8489     397.124   131.151      
1 1 1 -4  4  3  o 8  5.40575      0.815006    951.688   -165.644     774.374   14.3564      821.281   14.3564      
1 1 1 -4  4  4  o 15 42.9275      4.45943     485.429   -94.2107     944.771   -94.2107     254.853   -94.2107     
1 1 1 -4  4  5  o 18 20.8525      1.36803     285.342   -103.313     39.8634   -103.313     105.546   76.6874      
1 1 1 -4  4  6  o 12 86.1362      2.68806     2979.71   -76.5844     2293.66   -76.5844     142.593   103.416      
1 1 1 -4  4  7  o 13 129.588      3.93509     2494.99   127.513      3899.3    127.513      881.722   127.513      
1 1 1 -4  4  8  o 16 36.2323      1.61437     1701.99   146.522      1372.93   146.522      36.7731   -33.478      
1 1 1 -4  4  9  o 17 34.3798      1.47438     1898.75   -4.11889     1347.1    -4.11889     126.417   175.881      
1 1 1 -4  4  10 o 14 15.3425      0.705637    1414.28   174.243      744.681   174.243      214.866   -5.75714     
1 1 1 -4  4  11 o 3  24.5608      0.887187    1347.79   -115.955     1391.29   -115.955     146.886   -115.955     
1 1 1 -4  4  12 o 9  14.6957      0.706414    930.583   35.7217      1011.58   35.7217      132.46    35.7217      
1 1 1 -4  4  13 o 15 0.88426      0.195134    545.481   7.93386      ?         ?            ?         ?            
1 1 1 -4  4  14 o 15 60.9307      2.56481     2329.72   -9.01823     2227.47   -9.01823     147.656   -9.01823     
1 1 1 -4  4  15 o 2  161.896      4.75533     3146.28   -131.691     4230.8    -131.691     751.343   -131.691     
1 1 1 -4  4  16 o 8  5.51714      0.471191    849.557   155.58       56.1892   -24.42       409.918   -24.42       
1 1 1 -4  4  17 o 14 18.9518      1.03093     1395.93   -115.227     900.899   -115.227     183.433   64.7728      
1 1 1 -4  4  18 o 8  7.06972      0.564825    504.762   108.809      444.383   108.809      5.67874   -71.1908     
1 1 1 -4  4  19 o 6  14.6144      0.71104     433.365   -104.649     1107.04   -104.649     357.048   -104.649     
1 1 1 -4  4  20 o 17 3.74326      0.528781    366.946   68.1544      147.371   68.1544      94.6942   -111.846     
1 1 1 -4  4  21 o 12 4.98481      0.467794    559.952   90.4419      569.648   90.4419      35.2915   90.4419      
1 1 1 -4  4  22 o 9  5.36751      0.69111     212.057   -10.6328     737.24    -10.6328     281.468   -10.6328     
1 1 1 -4  4  23 o 9  4.65632      0.487924    301.048   98.5953      785.096   98.5953      274.726   98.5953      
1 1 1 -4  4  24 o 1  1.72994      0.390276    226.891   -71.0071     ?         ?            ?         ?            
1 1 1 -4  6  1  f 0  20.2894      0.952954    675.668   -15.2652     420.011   -15.2652     80.7523   164.735      
1 1 1 -4  6  2  o 11 48.6675      2.11757     1059.6    -153.938     2173.65   -153.938     631.83    -153.938     
1 1 1 -4  6  3  o 8  7.29392      0.512843    556.566   48.1206      261.863   -131.879     369.16    -131.879     
1 1 1 -4  6  4  o 18 18.3654      0.986667    605.56    -4.81532     473.764   -4.81532     21.3852   175.185      
1 1 1 -4  6  5  o 6  9.25459      0.532226    890.161   72.6189      87.1162   72.6189      334.612   -107.381     
1 1 1 -4  6  6  o 4  3.62092      0.675324    247.416   -131.65      66.9347   48.3498      138.041   48.3498      
1 1 1 -4  6  7  o 8  9.2269       0.870119    496.018   12.6619      464.873   12.6619      24.4887   12.6619      
1 1 1 -4  6  8  o 1  8.5874       0.799513    716.711   -135.436     57.6765   -135.436     267.874   44.5635      
1 1 1 -4  6  9  o 14 10.1563      0.664436    766.129   -173.179     587.879   -173.179     18.2441   6.82101      
1 1 1 -4  6  10 o 18 12.2635      0.68683     669.178   -79.8265     773.469   -79.8265     117.74    -79.8265     
1 1 1 -4  6  11 o 10 82.0417      2.96806     2257.48   59.4001      2946.17   59.4001      567.76    59.4001      
1 1 1 -4  6  12 o 9  13.4136      1.10371     577.635   59.8038      777.846   59.8038      153.401   59.8038      
1 1 1 -4  6  13 o 15 5.911        0.417653    263.927   147.694      177.352   -32.3062     200.102   -32.3062     
1 1 1 -4  6  14 o 15 73.8119      2.71999     2358.38   98.7326      2411.38   98.7326      169.007   98.7326      
1 1 1 -4  6  15 o 4  4.59481      0.371972    865.405   -136.908     ?         ?            ?         ?            
1 1 1 -4  6  16 o 4  6.27114      0.489335    383.722   85.2736      150.185   85.2736      99.0578   -94.7264     
1 1 1 -4  6  17 f 0  14.8895      0.702349    712.069   128.497      1162.63   128.497      259.986   128.497      
1 1 1 -4  6  18 o 6  8.73665      1.22204     896.654   114.977      532.19    114.977      140.666   -65.0227     
1 1 1 -4  6  19 o 6  2.05993      0.370827    702.414   43.7964      486.386   -136.204     565.505   -136.204     
1 1 1 -4  6  20 o 5  0.681642     0.293631    124.371   -60.6893     50.9967   119.311      81.113    119.311      
1 1 1 -4  6  21 o 12 1.06377      0.331664    468.651   37.4085      9.2838    -142.591     198.802   -142.591     
1 1 1 -4  6  22 o 13 1.04057      0.404668    179.726   -26.5316     63.0248   153.468      102.142   153.468      
1 1 1 -4  6  23 o 10 1.04761      0.340582    334.993   -154.381     ?         ?            ?         ?            
1 1 1 -4  8  1  o 2  11.1276      0.548769    1388.1    129.415      418.787   129.415      368.659   -50.5854     
1 1 1 -4  8  2  o 16 10.6137      0.952854    1587.71   -8.58053     229.792   -8.58053     544.76    171.419      
1 1 1 -4  8  3  o 5  4.47449      0.406128    1319.32   -23.2769     337.09    156.723      714.36    156.723      
1 1 1 -4  8  4  o 14 13.5327      0.922961    615.118   -121.135     751.906   -121.135     123.082   -121.135     
1 1 1 -4  8  5  o 15 1.18971      0.26558     789.03    -115.784     ?         ?            ?         ?            
1 1 1 -4  8  6  f 0  26.8455      1.80363     1586.43   29.7127      1391.4    29.7127      54.5413   29.7127      
1 1 1 -4  8  7  o 5  6.70825      0.734992    249.753   -72.2459     33.7938   -72.2459     83.3338   107.754      
1 1 1 -4  8  8  o 6  21.9921      1.05083     954.377   -103.13      1465.34   -103.13      350.137   -103.13      
1 1 1 -4  8  9  o 9  14.941       1.18179     819.316   18.7559      981.176   18.7559      159.246   18.7559      
1 1 1 -4  8  10 o 13 25.8091      1.91056     1608.28   51.9478      1182.2    51.9478      73.4684   -128.052     
1 1 1 -4  8  11 o 9  34.8743      1.56657     1384.58   -78.3607     1864.57   -78.3607     341.727   -78.3607     
1 1 1 -4  8  12 o 5  38.5874      1.65706     984.656   14.3809      2134.99   14.3809      633.3     14.3809      
1 1 1 -4  8  13 f 0  6.60833      0.568028    1002.65   -63.1542     450.579   116.846      677.78    116.846      
1 1 1 -4  8  14 o 3  7.51691      0.660443    525.536   40.1032      482.981   40.1032      2.8496    40.1032      
1 1 1 -4  8  15 o 11 16.6923      0.840471    1169.93   163.232      908.089   163.232      74.5956   -16.768      
1 1 1 -4  8  16 o 16 8.82365      1.00803     289.934   -48.287      626.143   -48.287      182.075   -48.287      
1 1 1 -4  8  17 o 17 6.4134       0.636645    111.443   93.8735      251.336   93.8735      74.7338   93.8735      
1 1 1 -4  8  18 o 12 9.42348      0.66383     840.734   70.9704      758.89    70.9704      4.74034   -109.03      
1 1 1 -4  8  19 o 15 2.67198      0.382026    451.631   -65.1677     252.376   -65.1677     70.7166   114.832      
1 1 1 -4  8  20 o 10 0.30115      0.366276    287.827   22.5192      ?         ?            ?         ?            
1 1 1 -4  8  21 o 8  1.5757       0.358106    273.148   -105.461     265.449   -105.461     26.1696   -105.461     
1 1 1 -4  8  22 o 15 -0.145714    0.250204    171.769   -121.85      ?         ?            ?         ?            
1 1 1 -4  10 1  o 12 9.96064      0.504462    1742.76   80.8438      5.79458   80.8438      698.031   -99.1562     
1 1 1 -4  10 2  o 8  44.6335      2.40344     2056.44   -46.2254     1881.54   -46.2254     112.37    -46.2254     
1 1 1 -4  10 3  o 16 32.4663      1.2315      2177.54   75.8271      1060.18   75.8271      350.124   -104.173     
1 1 1 -4  10 4  o 12 0.668915     0.202174    653.367   36.0096      433.198   -143.99      482.373   -143.99      
1 1 1 -4  10 5  o 1  6.90829      0.469967    1155.71   172.662      121.158   172.662      414.393   -7.33831     
1 1 1 -4  10 6  o 6  39.771       1.8919      2269.89   79.8864      1324.12   79.8864      285.01    -100.114     
1 1 1 -4  10 7  o 16 5.34525      0.554273    1622.21   -90.1293     605.727   89.8707      993.218   89.8707      
1 1 1 -4  10 8  o 8  2.44918      0.458125    730.467   91.6613      361.601   -88.3387     498.76    -88.3387     
1 1 1 -4  10 9  o 8  1.34397      0.406381    476.985   -142.98      ?         ?            ?         ?            
1 1 1 -4  10 10 o 15 58.7105      3.89615     1692.38   70.94        2552.51   70.94        511.994   70.94        
1 1 1 -4  10 11 o 1  8.53413      0.627455    522.329   -161.956     557.159   -161.956     41.3771   -161.956     
1 1 1 -4  10 12 o 12 17.8999      0.973273    670.439   -38.7802     1401.04   -38.7802     396.912   -38.7802     
1 1 1 -4  10 13 o 17 5.44543      0.572371    308.644   -169.718     337.579   -169.718     29.5462   -169.718     
1 1 1 -4  10 14 f 0  1.04823      0.559284    272.915   66.452       143.498   -113.548     195.387   -113.548     
1 1 1 -4  10 15 o 14 2.5475       0.384686    452.989   -133.394     21.3827   -133.394     196.736   46.6063      
1 1 1 -4  10 16 o 15 2.26747      0.477518    763.364   108.337      7.92843   -71.6627     352.439   -71.6627     
1 1 1 -4  10 17 o 6  4.03613      0.451449    670.65    169.168      380.093   169.168      103.598   -10.832      
1 1 1 -4  10 18 o 16 0.741515     0.370477    307.685   175.441      26.9343   -4.55933     139.386   -4.55933     
1 1 1 -4  10 19 o 9  0.477613     0.323165    400.344   -85.5902     121.262   94.4098      217.888   94.4098      
1 1 1 -4  10 20 o 12 0.65013      0.429764    226.023   -0.56643     51.1263   -0.56643     59.7377   179.434      
1 1 1 -4  12 1  o 11 1.38535      0.264563    390.412   -62.1635     254.167   117.836      302.018   117.836      
1 1 1 -4  12 2  o 7  3.93737      0.401287    800.018   64.9013      119.613   -115.099     419.048   -115.099     
1 1 1 -4  12 3  o 6  3.72445      0.352206    1029.34   53.2769      430.571   -126.723     679.047   -126.723     
1 1 1 -4  12 4  o 14 2.37805      0.388965    766.877   -114.76      378.87    65.2397      536.232   65.2397      
1 1 1 -4  12 5  o 12 9.41942      0.89821     887.52    -177.845     492.457   -177.845     156.335   2.15508      
1 1 1 -4  12 6  o 13 2.68741      0.641323    271.493   68.3415      160.248   -111.659     203.418   -111.659     
1 1 1 -4  12 7  o 4  4.07013      0.443175    302.401   17.144       74.1343   17.144       100.105   -162.856     
1 1 1 -4  12 8  o 16 4.91057      0.520518    842.583   -24.2523     132.011   -24.2523     315.085   155.748      
1 1 1 -4  12 9  o 11 2.89972      0.447766    907.557   138.115      110.772   -41.8854     464.868   -41.8854     
1 1 1 -4  12 10 o 9  2.72128      0.516673    386.398   -144.815     43.1124   -144.815     153.01    35.1854      
1 1 1 -4  12 11 o 7  2.92771      0.482104    300.949   -88.8693     124.453   -88.8693     74.6469   91.1307      
1 1 1 -4  12 12 o 9  1.31453      0.500749    212.117   -58.5687     30.2811   121.431      112.381   121.431      
1 1 1 -4  12 13 o 19 1.46507      0.402018    561.852   -112.671     54.0672   67.329       283.755   67.329       
1 1 1 -4  12 14 o 10 1.83998      0.543474    377.215   -51.2053     157.166   -51.2053     88.7648   128.795      
1 1 1 -4  12 15 o 17 8.40104      0.809405    474.158   -171.692     1048.53   -171.692     325.161   -171.692     
1 1 1 -4  12 16 o 11 2.02907      0.472004    163.564   117.496      246.38    117.496      57.878    117.496      
1 1 1 -4  12 17 o 3  1.05518      0.404641    147.244   82.8895      96.71     82.8895      8.96331   -97.1105     
1 1 1 -4  12 18 o 7  -0.0202907   0.327704    339.542   -162.2       ?         ?            ?         ?            
1 1 1 -4  14 1  o 15 7.44046      0.545502    339.177   40.1834      654.895   40.1834      174.057   40.1834      
1 1 1 -4  14 2  o 14 5.01896      0.564795    642.532   -45.6421     356.539   -45.6421     112.522   134.358      
1 1 1 -4  14 3  o 13 3.17535      0.366355    646.268   41.9672      70.4303   41.9672      257.699   -138.033     
1 1 1 -4  14 4  o 15 2.60724      0.387715    405.997   -146.956     111.163   -146.956     128.883   33.0443      
1 1 1 -4  14 5  o 6  6.27151      0.608026    833.096   117.734      433.339   117.734      163.158   -62.2656     
1 1 1 -4  14 6  o 6  1.78281      0.318333    359.462   128.65       25.3817   128.65       151.835   -51.3496     
1 1 1 -4  14 7  o 5  3.38689      0.564106    585.619   -25.2525     165.402   -25.2525     186.008   154.747      
1 1 1 -4  14 8  o 6  2.72382      0.345769    657.576   -92.9875     106.786   -92.9875     247.572   87.0125      
1 1 1 -4  14 9  o 4  1.74107      0.438702    218.376   64.1366      97.1521   64.1366      50.1081   -115.863     
1 1 1 -4  14 10 o 8  1.3212       0.480871    484.747   -118.668     13.3191   61.3316      219.818   61.3316      
1 1 1 -4  14 11 o 6  4.50645      0.542966    480.738   167.01       592.373   167.01       93.1643   167.01       
1 1 1 -4  14 12 o 3  4.62509      0.573434    407.153   41.4748      667.502   41.4748      168.811   41.4748      
1 1 1 -4  14 13 o 16 1.23314      0.417782    259.379   -47.3609     154.392   -47.3609     25.0921   132.639      
1 1 1 -4  14 14 o 6  0.174164     0.352806    143.143   -78.941      49.9006   101.059      80.267    101.059      
1 1 1 -4  14 15 o 1  1.42953      0.478061    164.015   78.0637      ?         ?            ?         ?            
1 1 1 -4  16 1  o 14 0.735281     0.314003    321.118   173.388      55.0328   -6.61202     163.382   -6.61202     
1 1 1 -4  16 2  o 6  0.590487     0.322367    109.14    166.104      32.6335   -13.8958     62.2537   -13.8958     
1 1 1 -4  16 3  o 17 0.379991     0.437046    172.317   149.825      62.9622   -30.1754     103.35    -30.1754     
1 1 1 -4  16 4  o 4  2.28038      0.359832    381.873   -47.2494     323.004   -47.2495     4.21881   -47.2495     
1 1 1 -4  16 5  o 12 0.709669     0.325736    246.621   -144.878     8.26562   35.1221      104.229   35.1221      
1 1 1 -4  16 6  o 9  0.182684     0.254787    380.113   -62.0449     195.314   117.955      249.694   117.955      
1 1 1 -4  16 7  o 7  0.0129341    0.21811     94.8215   -79.4915     62.4516   100.509      68.6936   100.509      
1 1 1 -4  16 8  f 0  0.268615     0.265244    171.387   -103.901     87.1187   76.0989      110.613   76.0989      
1 1 1 -4  16 9  o 10 0.126151     0.247506    93.4092   44.0265      41.0245   -135.973     56.5318   -135.973     
1 1 1 -4  16 10 o 8  0.236209     0.335937    194.643   151.873      58.4557   -28.1274     102.448   -28.1274     
1 1 1 -3  1  1  o 5  145.447      13.4093     3789.8    114.076      2796.43   114.076      367.348   -65.9238     
1 1 1 -3  1  2  o 6  42.6736      4.54391     860.594   14.722       1266.35   14.722       225.862   14.722       
1 1 1 -3  1  3  o 16 17           0.602621    1522.77   -41.5803     144.422   138.42       804.178   138.42       
1 1 1 -3  1  4  o 14 46.3466      1.5375      903.857   120.06       1255.19   120.06       191.895   120.06       
1 1 1 -3  1  5  o 10 27.8038      1.04967     1634.14   -172.63      173.964   7.3698       862.308   7.3698       
1 1 1 -3  1  6  o 10 95.7677      2.81379     2643.46   28.333       1805.85   28.333       313.479   -151.667     
1 1 1 -3  1  7  o 19 6.96436      0.569155    1440.42   135.362      ?         ?            ?         ?            
1 1 1 -3  1  8  o 8  25.9356      1.36921     1196.6    -144.762     809.095   -144.762     114.125   35.2382      
1 1 1 -3  1  9  o 3  52.8214      1.82525     1907.41   -134.549     1915.08   -134.549     142.429   -134.549     
1 1 1 -3  1  10 o 19 5.61309      0.394506    506.421   107.297      162.842   -72.7029     295.939   -72.7029     
1 1 1 -3  1  11 o 15 34.914       1.42835     1779.76   -43.1402     1594.22   -43.1402     53.2313   -43.1402     
1 1 1 -3  1  12 o 3  19.2634      1.12697     960.949   151.806      1265.41   151.806      239.437   151.806      
1 1 1 -3  1  13 o 5  22.5869      1.1696      2163.16   8.87269      657.914   8.87269      539.985   -171.127     
1 1 1 -3  1  14 o 2  7.83732      0.437362    772.163   -159.285     464.262   -159.285     78.5852   20.7146      
1 1 1 -3  1  15 o 4  5.37465      0.37763     1012.87   -32.2855     144.733   147.715      492.887   147.715      
1 1 1 -3  1  16 o 10 56.4874      1.75397     1478.42   -168.165     2590.74   -168.165     651.612   -168.165     
1 1 1 -3  1  17 o 8  27.9975      1.40656     1386.14   117.96       1232.82   117.96       8.74731   -62.0402     
1 1 1 -3  1  18 o 14 36.7201      1.3526      903.551   -175.424     1723.49   -175.424     451.757   -175.424     
1 1 1 -3  1  19 o 19 12.7546      0.879737    320.547   79.4011      1011.68   79.4011      361.23    79.4011      
1 1 1 -3  1  20 o 14 0.0532348    0.266198    194.385   -72.0831     ?         ?            ?         ?            
1 1 1 -3  1  21 o 19 4.68895      0.56331     667.736   -66.6112     402.88    -66.6112     104.174   113.389      
1 1 1 -3  1  22 o 12 1.13687      0.382745    444.004   -86.0784     232.988   93.9216      308.992   93.9216      
1 1 1 -3  1  23 o 13 1.85139      0.456252    440.614   160.366      100.062   160.366      126.26    -19.634      
1 1 1 -3  1  24 o 4  6.61444      0.571543    552.817   -173.313     909.357   -173.313     242.209   -173.313     
1 1 1 -3  3  1  o 1  105.033      3.20167     1582.66   -92.0451     3329.48   -92.0451     902.81    -92.0451     
1 1 1 -3  3  2  o 15 38.4765      1.17537     1312.75   4.21978      1221.18   4.21978      18.8326   -175.78      
1 1 1 -3  3  3  o 13 145.707      4.7302      2492.44   126.684      3717.17   126.684      675.884   126.684      
1 1 1 -3  3  4  o 11 95.8171      3.64116     2273.68   7.14631      2806.68   7.14631      344.449   7.14631      
1 1 1 -3  3  5  o 6  144.488      4.51111     3335.04   -63.3588     3122.49   -63.3588     46.9279   -63.3588     
1 1 1 -3  3  6  o 3  66.3446      2.4181      1146.66   -78.7703     1534.66   -78.7703     260.214   -78.7703     
1 1 1 -3  3  7  o 15 193.427      5.41606     3933.55   -87.4607     3838.55   -87.4607     215.574   -87.4607     
1 1 1 -3  3  8  o 1  28.9739      1.17332     1673.63   -121.321     31.8486   58.6794      731.691   58.6794      
1 1 1 -3  3  9  o 7  31.3347      1.89325     1360.04   -165.671     1525.07   -165.671     185.504   -165.671     
1 1 1 -3  3  10 o 10 44.7497      1.52291     1269.68   -6.6003      2379.01   -6.6003      656.603   -6.6003      
1 1 1 -3  3  11 o 18 14.1851      0.621388    269.201   146.417      94.6506   146.417      63.6334   -33.5829     
1 1 1 -3  3  12 o 1  11.6249      0.619022    1022.01   113.063      747.813   113.063      38.89     -66.9371     
1 1 1 -3  3  13 o 9  19.7113      0.769564    1710.15   57.4223      839.456   57.4223      265.544   -122.578     
1 1 1 -3  3  14 o 11 9.8921       0.608863    783.379   -63.8655     533.778   -63.8655     52.6419   116.135      
1 1 1 -3  3  15 o 14 40.2555      1.53743     1744.03   45.2023      1765.69   45.2023      141.313   45.2023      
1 1 1 -3  3  16 o 19 71.1901      2.56084     2227.12   -109.771     2557.34   -109.771     289.338   -109.771     
1 1 1 -3  3  17 o 5  22.9173      1.05323     805.626   155.544      1290.81   155.544      279.85    155.544      
1 1 1 -3  3  18 o 4  1.89575      0.334238    359.798   155.457      140.746   -24.543      233.148   -24.543      
1 1 1 -3  3  19 o 2  21.3746      0.946568    656.587   87.3701      1723.6    87.3701      565.152   87.3701      
1 1 1 -3  3  20 o 13 77.0285      2.25496     616.473   -136.559     4011.96   -136.559     1723.67   -136.559     
1 1 1 -3  3  21 o 12 0.837661     0.611085    242.446   -39.2513     90.6291   140.749      155.026   140.749      
1 1 1 -3  3  22 o 3  3.05943      0.39102     358.407   164.79       414.689   164.79       56.6841   164.79       
1 1 1 -3  3  23 o 8  0.220442     0.283444    278.88    -85.2242     ?         ?            ?         ?            
1 1 1 -3  3  24 o 14 1.64627      0.501725    328.1     67.1852      189.116   67.1852      28.941    -112.815     
1 1 1 -3  5  1  o 3  19.8661      1.23827     1125.82   -78.3382     32.9504   -78.3382     484.475   101.662      
1 1 1 -3  5  2  o 14 7.39303      0.431226    1392.28   20.774       505.343   -159.226     868.547   -159.226     
1 1 1 -3  5  3  o 10 4.18456      0.350602    183.032   -57.8854     144.932   122.115      152.701   122.115      
1 1 1 -3  5  4  o 2  59.5399      1.89464     2057.88   8.04315      2039.03   8.04315      126.6     8.04315      
1 1 1 -3  5  5  o 19 38.4653      1.36658     1714.16   -64.1774     1473.44   -64.1774     0.229543  115.823      
1 1 1 -3  5  6  f 0  29.2607      1.54622     1262.9    -137.218     1349.46   -137.218     135.588   -137.218     
1 1 1 -3  5  7  f 0  26.1814      1.84354     1025.86   -86.646      1447.32   -86.646      288.268   -86.646      
1 1 1 -3  5  8  o 7  20.264       0.988623    1121.16   -92.2894     1028.82   -92.2894     42.3025   -92.2894     
1 1 1 -3  5  9  o 16 6.39028      0.428389    838.177   155.332      128.494   155.332      284.1     -24.6675     
1 1 1 -3  5  10 o 13 19.9671      0.898113    691.407   5.54914      1447.09   5.54914      441.269   5.54914      
1 1 1 -3  5  11 o 11 7.60915      0.595901    971.762   -75.208      300.117   -75.208      240.561   104.792      
1 1 1 -3  5  12 o 16 12.6324      0.671492    590.881   155.624      810.198   155.624      167.965   155.624      
1 1 1 -3  5  13 o 5  12.6646      0.650859    633.332   100.066      562.313   100.066      21.6025   100.066      
1 1 1 -3  5  14 o 17 52.0904      1.69995     1475.36   89.8466      2330.13   89.8466      535.839   89.8466      
1 1 1 -3  5  15 o 8  37.351       1.45082     2027.83   -9.90141     1451.85   -9.90141     174.804   170.099      
1 1 1 -3  5  16 o 6  19.3797      1.13458     1276.51   -87.8308     969.321   -87.8308     94.2995   92.1692      
1 1 1 -3  5  17 o 19 11.933       0.82027     818.103   137.089      839.027   137.089      49.0825   137.089      
1 1 1 -3  5  18 o 2  2.46434      0.431049    505.765   -22.2456     132.769   157.754      294.66    157.754      
1 1 1 -3  5  19 o 10 11.5746      0.847024    369.826   -145.444     1102.16   -145.444     382.186   -145.444     
1 1 1 -3  5  20 o 14 7.47218      0.874085    268.787   -69.4025     777.299   -69.4025     265.972   -69.4025     
1 1 1 -3  5  21 f 0  8.5253       0.621746    596.435   -171.276     948.767   -171.276     217.444   -171.276     
1 1 1 -3  5  22 o 6  5.42127      0.579088    438.362   114.779      709.608   114.779      179.666   114.779      
1 1 1 -3  5  23 o 2  2.18628      0.407488    461.738   -117.28      333.072   -117.28      11.1009   62.7197      
1 1 1 -3  7  1  o 12 9.33302      0.743111    966.026   -41.5012     228.574   -41.5012     295.74    138.499      
1 1 1 -3  7  2  o 9  1.48106      0.187747    904.329   129.701      665.799   -50.2992     716.264   -50.2992     
1 1 1 -3  7  3  o 13 21.5205      0.8947      1161.33   -158.779     1158.33   -158.779     88.0019   -158.779     
1 1 1 -3  7  4  o 7  8.70403      0.871725    700.681   50.1508      110.058   50.1508      240.17    -129.849     
1 1 1 -3  7  5  o 7  2.93811      0.626959    522.116   137.752      ?         ?            ?         ?            
1 1 1 -3  7  6  o 2  26.2347      1.39698     1561.48   136.471      1299.06   136.471      1.69254   136.471      
1 1 1 -3  7  7  o 16 33.2409      1.49334     1729.32   -154.249     1473.58   -154.249     27.9986   -154.249     
1 1 1 -3  7  8  o 16 18.3714      1.40329     555.946   -145.214     1304.63   -145.214     427.397   -145.214     
1 1 1 -3  7  9  o 12 44.3047      1.7328      1861.57   -171.122     2068.94   -171.122     288.027   -171.122     
1 1 1 -3  7  10 o 15 1.04203      0.207113    503.243   -116.563     323.177   63.4369      363.774   63.4369      
1 1 1 -3  7  11 o 6  3.89062      0.441069    1210.3    151.925      263.701   -28.0754     626.97    -28.0754     
1 1 1 -3  7  12 o 8  17.2342      0.951999    1133.92   -163.465     906.505   -163.465     26.1674   16.5349      
1 1 1 -3  7  13 o 11 24.2769      1.30019     1558.8    -2.75085     1086.38   -2.75085     141.123   177.249      
1 1 1 -3  7  14 o 13 5.01243      0.459969    955.945   -103.388     275.734   76.6122      568.943   76.6122      
1 1 1 -3  7  15 o 13 8.07937      0.551757    1008.22   -1.97726     374.374   -1.97726     270.612   178.023      
1 1 1 -3  7  16 o 17 17.6571      1.2702      994.212   -78.1059     1169.32   -78.1059     135.643   -78.1059     
1 1 1 -3  7  17 o 11 3.81794      0.47541     226.812   123.83       204.354   123.83       0.427206  -56.1703     
1 1 1 -3  7  18 o 6  5.73283      0.530328    871.464   -45.1207     333.852   -45.1207     232.285   134.879      
1 1 1 -3  7  19 o 12 3.2561       0.618276    407.681   107.315      247.233   107.315      61.3933   -72.6849     
1 1 1 -3  7  20 o 4  1.90988      0.355451    182.405   -25.3461     101.411   -25.3461     27.0469   154.654      
1 1 1 -3  7  21 o 7  2.22906      0.347686    307.829   -10.5826     224.565   -10.5826     10.2717   169.417      
1 1 1 -3  7  22 o 14 0.607436     0.310285    84.7137   -130.43      46.2735   49.5696      55.6768   49.5696      
1 1 1 -3  9  1  o 17 1.80601      0.401927    338.338   -8.89772     ?         ?            ?         ?            
1 1 1 -3  9  2  o 9  2.64733      0.293684    1370.81   151.944      639.497   -28.056      873.061   -28.056      
1 1 1 -3  9  3  o 4  12.8455      0.865225    592.276   82.0293      928.617   82.0293      225.944   82.0293      
1 1 1 -3  9  4  o 12 28.4425      1.13054     1118.48   -5.88948     1821.23   -5.88948     461.837   -5.88948     
1 1 1 -3  9  5  o 14 13.8434      0.633305    1540.87   36.8494      548.733   36.8494      342.931   -143.151     
1 1 1 -3  9  6  o 12 11.9937      0.904185    1508.99   -56.198      468.383   -56.198      371.656   123.802      
1 1 1 -3  9  7  o 2  4.30538      0.369347    462.549   122.302      357.085   -57.6979     365.846   -57.6979     
1 1 1 -3  9  8  o 10 3.79444      1.12477     1094.7    -115.271     313.096   64.7286      607.375   64.7286      
1 1 1 -3  9  9  o 3  11.0177      1.09082     829.599   -11.2741     566.562   -11.2741     67.0124   168.726      
1 1 1 -3  9  10 o 7  7.30871      0.79913     1055.17   52.9335      134.228   52.9335      391.64    -127.067     
1 1 1 -3  9  11 o 3  2.89937      0.445666    1125.24   67.4636      553.316   -112.536     778.817   -112.536     
1 1 1 -3  9  12 o 3  38.9117      2.11457     1599.53   -90.76       1840.93   -90.76       195.761   -90.76       
1 1 1 -3  9  13 o 18 8.4496       0.670841    639.882   -19.7204     398.53    -19.7204     91.0983   160.28       
1 1 1 -3  9  14 o 10 2.20459      0.372717    387.48    56.2892      120.409   -123.711     235.155   -123.711     
1 1 1 -3  9  15 o 14 1.04233      0.581653    223.705   12.8737      137.866   -167.126     170.074   -167.126     
1 1 1 -3  9  16 o 14 6.34433      0.606803    1021.65   -24.3428     327.58    -24.3428     303.317   155.657      
1 1 1 -3  9  17 o 6  3.47392      0.514373    423.166   -28.1502     372.196   -28.1502     7.36676   151.85       
1 1 1 -3  9  18 o 18 0.51926      0.284325    291.178   -133.583     ?         ?            ?         ?            
1 1 1 -3  9  19 o 12 0.958374     0.301737    349.931   37.7603      45.5975   37.7603      120.016   -142.24      
1 1 1 -3  9  20 o 8  4.11976      0.427069    399.225   45.3173      663.594   45.3173      175.357   45.3173      
1 1 1 -3  9  21 o 14 0.58771      0.369992    202.119   89.2254      40.7372   -90.7746     96.1877   -90.7746     
1 1 1 -3  11 1  o 18 10.1496      0.694869    687.309   152.139      588.901   152.139      4.65154   152.139      
1 1 1 -3  11 2  f 0  13.5924      0.777564    950.818   17.4055      842.81    17.4055      18.7898   17.4055      
1 1 1 -3  11 3  o 18 3.82101      0.346052    295.047   -64.6329     ?         ?            ?         ?            
1 1 1 -3  11 4  o 8  11.8656      0.84377     685.857   -58.8121     622.217   -58.8121     15.4187   -58.8121     
1 1 1 -3  11 5  o 12 18.2021      0.866626    1215.12   -26.4264     900.597   -26.4264     80.4022   153.574      
1 1 1 -3  11 6  o 8  13.6456      0.727943    1610.79   -134.132     362.647   -134.132     532.121   45.8682      
1 1 1 -3  11 7  o 13 1.44334      0.459324    1171.82   16.7217      821.729   -163.278     936.597   -163.278     
1 1 1 -3  11 8  o 7  17.6618      1.03881     1324.08   -154.878     878.426   -154.878     160.204   25.1219      
1 1 1 -3  11 9  o 11 33.3313      1.60023     1627.33   16.5057      1484.23   16.5057      3.08763   16.5057      
1 1 1 -3  11 10 o 4  11.3404      0.947139    966.427   106.03       725.601   106.03       75.0744   -73.9702     
1 1 1 -3  11 11 o 17 9.08198      0.711544    737.708   134.202      691.238   134.202      12.6426   134.202      
1 1 1 -3  11 12 o 17 0.0799778    0.433418    296.435   73.5888      239.185   -106.411     253.509   -106.411     
1 1 1 -3  11 13 o 11 8.21929      1.21126     578.234   -22.459      749.83    -22.459      111.518   -22.459      
1 1 1 -3  11 14 f 0  10.9798      0.798255    763.925   -175.735     996.115   -175.735     147.516   -175.735     
1 1 1 -3  11 15 o 2  2.24281      0.464534    500.851   18.2078      170.727   18.2078      141.242   -161.792     
1 1 1 -3  11 16 o 13 0.986055     0.280951    361.595   -71.1737     11.5145   108.826      161.458   108.826      
1 1 1 -3  11 17 o 8  6.22607      0.642066    371.414   -105.078     908.206   -105.078     303.768   -105.078     
1 1 1 -3  11 18 o 17 1.34165      0.301293    522.022   107.687      125.149   107.687      141.831   -72.3128     
1 1 1 -3  11 19 o 19 0.985172     0.394853    228.917   102.433      154.229   102.433      8.97273   -77.5673     
1 1 1 -3  13 1  o 17 6.46817      0.558682    640.538   7.75685      347.256   7.75685      116.832   -172.243     
1 1 1 -3  13 2  o 10 2.60715      0.393119    499.65    -70.716      196.133   109.284      324.524   109.284      
1 1 1 -3  13 3  f 0  4.30829      0.456989    531.062   -102.835     8.69536   77.1648      244.811   77.1648      
1 1 1 -3  13 4  o 3  0.0670148    0.230699    306.05    165.851      ?         ?            ?         ?            
1 1 1 -3  13 5  o 16 3.43409      0.420801    968.591   -79.6196     126.966   100.38       500.796   100.38       
1 1 1 -3  13 6  o 12 8.67885      0.687991    679.39    -56.1181     686.731   -56.1181     36.8745   -56.1181     
1 1 1 -3  13 7  o 6  2.65143      0.463884    401.899   -68.3111     71.2386   -68.3111     145.886   111.689      
1 1 1 -3  13 8  o 12 4.03578      0.504147    807.748   146.078      178.519   146.078      277.022   -33.9225     
1 1 1 -3  13 9  o 19 6.77109      0.604114    515.987   77.4104      635.443   77.4104      82.1983   77.4104      
1 1 1 -3  13 10 o 3  1.26793      0.378846    291.845   61.0488      40.7431   -118.951     154.268   -118.951     
1 1 1 -3  13 11 o 5  1.93897      0.516886    435.524   -125.821     111.44    -125.821     143.14    54.1795      
1 1 1 -3  13 12 o 2  5.3414       0.645086    489.79    178.236      633.616   178.236      98.5886   178.236      
1 1 1 -3  13 13 o 5  1.99602      0.480499    460.947   38.2886      40.4315   38.2886      175.955   -141.711     
1 1 1 -3  13 14 o 17 1.61953      0.430069    362.572   -5.49302     165.762   -5.49302     63.9244   174.507      
1 1 1 -3  13 15 o 13 0.715032     0.407915    267.033   -96.5153     25.0622   -96.5153     92.4538   83.4847      
1 1 1 -3  13 16 o 9  2.23001      0.585041    357.038   3.89501      370.962   3.89501      48.9698   3.89501      
1 1 1 -3  15 1  o 14 5.02384      0.480891    176.727   -28.4005     343.054   -28.4005     90.5033   -28.4005     
1 1 1 -3  15 2  o 4  0.33503      0.298579    358.932   38.5516      236.892   -141.448     282.877   -141.448     
1 1 1 -3  15 3  o 8  1.66449      0.437717    210.406   145.59       44.5595   -34.4101     118.476   -34.4101     
1 1 1 -3  15 4  o 16 1.4617       0.301236    542.207   90.4602      42.5029   -89.5398     268.062   -89.5398     
1 1 1 -3  15 5  o 7  0.704073     0.301372    248.184   140.891      92.3245   -39.1086     158.182   -39.1086     
1 1 1 -3  15 6  o 1  -0.0250368   0.264034    302.74    -156.78      231.484   23.2195      250.404   23.2195      
1 1 1 -3  15 7  o 10 1.64998      0.325027    386.414   147.498      88.6587   147.498      123.756   -32.5017     
1 1 1 -3  15 8  o 19 0.460223     0.356552    305.748   -136.46      165.281   43.5401      211.775   43.5401      
1 1 1 -3  15 9  o 7  0.25096      0.281393    354.746   11.6666      191.701   -168.333     240.962   -168.333     
1 1 1 -3  15 10 o 6  1.0395       0.384243    184.248   64.146       64.6043   64.146       41.1142   -115.854     
1 1 1 -3  15 11 o 12 2.18987      0.555071    410.863   -74.8837     331.477   -74.8837     4.66834   -74.8837     
1 1 1 -3  15 12 o 17 2.84429      0.564591    470.221   147.705      458.193   147.705      48.4442   147.705      
1 1 1 -3  15 13 o 1  0.372195     0.387647    128.069   132.224      ?         ?            ?         ?            
1 1 1 -3  17 1  o 4  0.706731     0.396797    137.487   10.4375      30.7555   10.4375      38.3171   -169.563     
1 1 1 -3  17 2  o 1  1.03329      0.315854    564.295   149.223      9.72767   149.223      215.086   -30.7775     
1 1 1 -3  17 3  o 9  0.365463     0.284522    138.218   -160.384     25.0975   19.6161      66.2137   19.6161      
1 1 1 -3  17 4  o 11 0.546685     0.392651    236.189   159.243      16.3621   -20.7575     99.2544   -20.7575     
1 1 1 -3  17 5  f 0  0.267742     0.300951    178.215   -11.5161     34.9304   168.484      85.405    168.484      
1 1 1 -3  17 6  f 0  0.28785      0.282895    16.2328   52.9736      ?         ?            ?         ?            
1 1 1 -3  17 7  o 18 -0.209415    0.343646    188.88    -70.1163     ?         ?            ?         ?            
1 1 1 -2  0  1  o 13 0.00245987   0.0171888   361.847   180          330.739   5.04556e-18  330.858   2.52187e-18  
1 1 1 -2  0  2  o 18 18.2001      2.84032     1339.89   0            341.01    0            455.812   180          
1 1 1 -2  0  3  o 3  8.21415      0.747189    2604.53   180          ?         ?            ?         ?            
1 1 1 -2  0  4  o 5  18.1937      1.32363     730.108   0            ?         ?            ?         ?            
1 1 1 -2  0  5  o 17 53.2787      2.36119     681.215   180          1269.82   180          310.234   180          
1 1 1 -2  0  6  o 18 446.274      14.996      5343.7    180          6834.85   180          945.712   180          
1 1 1 -2  0  7  o 3  10.5892      0.862846    1988.33   180          594.832   1.39297e-14  1185.27   3.49534e-15  
1 1 1 -2  0  8  o 8  35.596       1.69526     1543.41   180          1471.86   180          65.5877   180          
1 1 1 -2  0  9  o 12 76.2422      3.32996     1358.65   0            3660.13   0            1248.99   0            
1 1 1 -2  0  10 o 4  16.5482      1.47261     1383.59   180          829.689   180          171.612   4.09403e-14  
1 1 1 -2  0  11 f 0  15.3589      1.2118      496.02    180          699.053   180          142.003   180          
1 1 1 -2  0  12 o 14 40.1058      2.2362      2073.64   0            1828.41   0            64.6796   0            
1 1 1 -2  0  13 o 17 0.905007     0.317482    119.408   0            ?         ?            ?         ?            
1 1 1 -2  0  14 o 10 1.05747      0.342629    341.956   0            194.333   180          234.698   180          
1 1 1 -2  0  15 o 14 16.2924      1.23118     1312.57   0            1108.78   0            10.0625   0            
1 1 1 -2  0  16 o 2  2.445        0.4155      450.694   180          151.557   1.11372e-14  271.836   3.10467e-15  
1 1 1 -2  0  17 o 4  6.56042      0.773955    563.456   180          357.191   180          75.4374   4.02404e-14  
1 1 1 -2  0  18 o 3  33.3895      2.56368     784.387   0            2453.31   0            870.712   0            
1 1 1 -2  0  19 o 1  5.86866      0.682824    490.385   0            467.678   0            12.6105   0            
1 1 1 -2  0  20 o 10 -0.138361    0.24724     92.4338   180          ?         ?            ?         ?            
1 1 1 -2  0  21 o 15 13.0975      1.00685     166.656   0            1170.49   0            508.964   0            
1 1 1 -2  0  22 o 3  0.109044     0.445234    348.915   180          254.842   1.31367e-15  278.698   6.00613e-16  
1 1 1 -2  0  23 o 7  0.514393     0.580945    300.645   180          ?         ?            ?         ?            
1 1 1 -2  0  24 o 1  4.06944      0.640263    123.516   180          690.239   180          297.659   180          
1 1 1 -2  2  1  f 0  17.7405      2.63003     713.492   -99.8899     258.383   -99.8899     212.086   80.1101      
1 1 1 -2  2  2  o 17 2.06839      0.719818    33.9687   -154.334     ?         ?            ?         ?            
1 1 1 -2  2  3  o 19 16.5451      0.878749    1244.14   -127.499     ?         ?            ?         ?            
1 1 1 -2  2  4  o 8  63.6181      2.42668     2070.7    -46.8374     1515.4    -46.8374     231.718   133.163      
1 1 1 -2  2  5  o 7  38.4847      1.46449     1759.59   122.26       1151.93   122.26       245.519   -57.7401     
1 1 1 -2  2  6  o 5  177.367      4.60749     3350.64   107.427      3763.77   107.427      365.83    107.427      
1 1 1 -2  2  7  o 2  100.633      3.12298     1987.1    60.1624      2182.11   60.1624      218.105   60.1624      
1 1 1 -2  2  8  o 10 102.606      3.38075     3410.71   2.55344      1926.61   2.55344      505.307   -177.447     
1 1 1 -2  2  9  o 13 11.5157      0.729078    993.348   145.051      256.421   -34.9489     551.382   -34.9489     
1 1 1 -2  2  10 o 6  34.412       1.599       1263.63   -58.3506     1768.62   -58.3506     350.834   -58.3506     
1 1 1 -2  2  11 o 12 4.86237      0.399732    829.544   -42.3464     49.206    137.654      369.397   137.654      
1 1 1 -2  2  12 o 11 28.4731      1.15229     1425.64   -15.3167     1539.57   -15.3167     189.871   -15.3167     
1 1 1 -2  2  13 o 3  0.84106      0.198012    585.078   -136.52      ?         ?            ?         ?            
1 1 1 -2  2  14 o 14 40.3491      2.00593     1812.35   66.3519      1725.25   66.3519      129.721   66.3519      
1 1 1 -2  2  15 o 14 12.8247      0.658224    859.888   -13.128      814.05    -13.128      46.27     -13.128      
1 1 1 -2  2  16 o 13 10.5671      0.828924    189.985   14.0576      270.199   14.0576      51.5618   14.0576      
1 1 1 -2  2  17 o 5  10.7681      0.735461    583.877   -166.619     717.088   -166.619     94.2561   -166.619     
1 1 1 -2  2  18 o 8  13.5175      0.742715    492.339   160.602      1046.63   160.602      300.204   160.602      
1 1 1 -2  2  19 o 13 1.63749      0.325271    526.018   120.077      341.983   -59.9232     408.359   -59.9232     
1 1 1 -2  2  20 o 9  11.3359      0.728413    433.786   -26.8161     1046.5    -26.8161     325.132   -26.8161     
1 1 1 -2  2  21 o 18 1.4723       0.367297    371.426   13.8042      249.503   -166.196     294.006   -166.196     
1 1 1 -2  2  22 o 2  23.7599      1.0374      844.81    -83.1641     1891.37   -83.1641     584.974   -83.1641     
1 1 1 -2  2  23 o 11 5.54345      0.543879    607.48    -103.14      710.357   -103.14      114.101   -103.14      
1 1 1 -2  2  24 o 1  2.33017      0.415592    302.797   -32.3067     414.959   -32.3067     92.3537   -32.3067     
1 1 1 -2  4  1  o 16 140.672      4.30653     3012.44   0.978741     3426.12   0.978741     305.917   0.978741     
1 1 1 -2  4  2  f 0  7.32172      0.997888    883.622   -113.864     454.624   66.1363      636.676   66.1363      
1 1 1 -2  4  3  o 19 37.5097      1.64434     1748.28   -74.305      1077.82   -74.305      259.719   105.695      
1 1 1 -2  4  4  o 1  23.0114      1.20201     1279.79   79.2833      537.947   79.2833      304.965   -100.717     
1 1 1 -2  4  5  o 9  128.097      3.74725     3091.84   42.7605      3227.54   42.7605      253.93    42.7605      
1 1 1 -2  4  6  o 9  20.3805      0.992282    1612.96   23.9985      326.842   -156.002     861.293   -156.002     
1 1 1 -2  4  7  o 6  42.4225      1.39642     2634.38   8.6408       989.067   8.6408       632.814   -171.359     
1 1 1 -2  4  8  f 0  26.9034      1.2567      788.498   -89.8424     1429.26   -89.8424     379.652   -89.8424     
1 1 1 -2  4  9  o 11 30.4496      1.24127     1148.1    -43.4891     1769.15   -43.4891     401.107   -43.4891     
1 1 1 -2  4  10 o 19 35.8639      1.73987     1224.88   -58.7192     1831.09   -58.7192     407.445   -58.7192     
1 1 1 -2  4  11 o 5  9.1886       0.543644    858.049   28.4546      348.289   28.4546      174.836   -151.545     
1 1 1 -2  4  12 o 3  20.8469      0.860476    1037.88   -41.3197     1238.45   -41.3197     203.033   -41.3197     
1 1 1 -2  4  13 o 3  14.5156      0.776904    1051.04   78.8106      838.134   78.8106      4.68523   -101.189     
1 1 1 -2  4  14 o 1  37.74        1.72586     1166.61   75.4274      1984.02   75.4274      506.913   75.4274      
1 1 1 -2  4  15 o 1  8.33861      0.463019    967.659   164.284      101.039   164.284      370.31    -15.7165     
1 1 1 -2  4  16 o 18 53.2736      1.78047     2187.84   30.0618      1905.77   30.0618      32.0658   -149.938     
1 1 1 -2  4  17 o 10 4.85588      0.493236    639.101   -20.5219     175.959   -20.5219     202.178   159.478      
1 1 1 -2  4  18 o 10 26.9444      1.93743     1226.9    130.253      1485.91   130.253      189.257   130.253      
1 1 1 -2  4  19 o 1  12.0948      0.748392    472.516   140.298      1097.79   140.298      334.443   140.298      
1 1 1 -2  4  20 o 16 5.40589      0.492587    225.832   -83.6889     454.134   -83.6889     123.447   -83.6889     
1 1 1 -2  4  21 o 8  7.06849      0.542028    554.622   148.974      706.654   148.974      107.491   148.974      
1 1 1 -2  4  22 o 16 1.96606      0.433951    298.966   -149.103     8.22032   30.8969      126.207   30.8969      
1 1 1 -2  4  23 o 3  7.29994      0.696948    165.315   -5.26823     1038.55   -5.26823     454.743   -5.26823     
1 1 1 -2  4  24 o 12 3.77552      0.493477    424.225   152.324      ?         ?            ?         ?            
1 1 1 -2  6  1  o 16 23.4761      1.58911     1733.8    159.967      608.757   159.967      442.369   -20.0334     
1 1 1 -2  6  2  o 17 55.5094      2.19213     1918.98   21.2763      2119.65   21.2763      235.327   21.2763      
1 1 1 -2  6  3  o 18 14.0501      0.636618    790.095   30.543       28.7466   -149.457     352.671   -149.457     
1 1 1 -2  6  4  o 12 26.3676      1.22605     993.205   -93.2536     1185.43   -93.2536     169.055   -93.2536     
1 1 1 -2  6  5  o 16 1.28777      0.292552    852.483   -81.4181     ?         ?            ?         ?            
1 1 1 -2  6  6  o 10 17.395       1.41718     877.53    -59.2387     1061.38   -59.2387     159.819   -59.2387     
1 1 1 -2  6  7  o 9  7.44944      0.447568    1089.87   40.5274      ?         ?            ?         ?            
1 1 1 -2  6  8  o 9  40.9772      1.83656     1564.52   -51.4212     2043.22   -51.4212     374.263   -51.4212     
1 1 1 -2  6  9  o 17 3.32906      0.28778     1446.46   121.196      658.435   -58.8039     918.206   -58.8039     
1 1 1 -2  6  10 o 13 53.3947      1.96609     1851.46   101.859      2390.83   101.859      451.526   101.859      
1 1 1 -2  6  11 o 9  96.2611      3.08841     2578.19   -114.951     3090.35   -114.951     510.834   -114.951     
1 1 1 -2  6  12 o 17 34.8906      1.71467     1701.27   67.1323      1685.64   67.1323      148.002   67.1323      
1 1 1 -2  6  13 o 14 14.3312      1.02708     712.742   25.3604      477.596   25.3604      62.8998   -154.64      
1 1 1 -2  6  14 o 6  44.7706      1.85348     888.872   45.5349      2560.86   45.5349      888.747   45.5349      
1 1 1 -2  6  15 o 11 15.5678      0.651129    381.336   149.769      858.317   149.769      256.73    149.769      
1 1 1 -2  6  16 o 7  3.32903      0.388918    231.835   153.887      18.9435   -26.1127     114.654   -26.1127     
1 1 1 -2  6  17 o 18 13.6872      0.817448    1262.83   -20.0205     735.721   -20.0205     201.901   159.979      
1 1 1 -2  6  18 o 1  13.2594      1.05866     1033.03   140.865      812.912   140.865      62.6565   -39.1353     
1 1 1 -2  6  19 o 3  7.1298       0.490418    739.902   -62.1345     274.738   -62.1345     202.136   117.866      
1 1 1 -2  6  20 o 3  1.82615      0.330283    409.31    -86.7998     53.7067   -86.7998     155.31    93.2002      
1 1 1 -2  6  21 o 15 0.518216     0.296771    180.265   -87.1744     61.547    92.8256      104.986   92.8256      
1 1 1 -2  6  22 f 0  3.31045      0.526148    404.593   77.1215      544.139   77.1215      113.441   77.1215      
1 1 1 -2  6  23 < 8  -0.948348    0.228082    210.04    -116.245     ?         ?            ?         ?            
1 1 1 -2  8  1  o 19 5.11204      0.457541    781.577   -11.4777     129.797   168.522      390.646   168.522      
1 1 1 -2  8  2  o 9  12.9532      1.03226     1082.11   -135.212     779.028   -135.212     60.3762   44.788       
1 1 1 -2  8  3  o 5  8.46333      0.559459    558.76    -92.2115     531.276   -92.2115     34.3604   -92.2115     
1 1 1 -2  8  4  o 13 31.9491      1.78991     1995.93   38.5505      1174.55   38.5505      233.48    -141.449     
1 1 1 -2  8  5  o 4  8.1971       0.678499    878.703   -63.6679     ?         ?            ?         ?            
1 1 1 -2  8  6  o 11 19.6498      1.50006     733.071   -108.637     1442.15   -108.637     424.831   -108.637     
1 1 1 -2  8  7  o 15 18.6984      0.995724    1290.88   2.23724      1071.31   2.23724      17.6674   2.23724      
1 1 1 -2  8  8  f 0  17.5452      0.930349    370.883   29.048       1087.37   29.048       395.01    29.048       
1 1 1 -2  8  9  o 2  35.5115      1.30876     2201.08   -151.082     1357.77   -151.082     211.869   28.9184      
1 1 1 -2  8  10 o 6  35.0355      2.48292     1249.17   -142.111     1949.32   -142.111     457.749   -142.111     
1 1 1 -2  8  11 o 14 9.16153      0.610639    625.544   25.3552      453.286   25.3552      40.6859   -154.645     
1 1 1 -2  8  12 o 7  38.6388      1.53223     1445.52   -168.583     1804.34   -168.583     263.601   -168.583     
1 1 1 -2  8  13 o 8  2.33027      0.407813    1192.03   157.524      727.915   -22.4756     902.407   -22.4756     
1 1 1 -2  8  14 o 2  7.01605      0.676848    283.572   117.112      253.187   117.112      2.15706   -62.8877     
1 1 1 -2  8  15 o 2  8.88481      0.594599    765.306   -133.849     309.129   -133.849     191.119   46.1513      
1 1 1 -2  8  16 o 6  7.5484       0.847853    857.852   59.1119      551.514   59.1119      112.037   -120.888     
1 1 1 -2  8  17 o 9  11.2011      0.749959    839.225   -68.9717     929.333   -68.9717     80.7666   -68.9717     
1 1 1 -2  8  18 o 19 2.25603      0.397581    330.5     -118.238     146.375   61.7616      223.961   61.7616      
1 1 1 -2  8  19 o 16 3.85434      0.470514    215.322   126.841      499.247   126.841      156.277   126.841      
1 1 1 -2  8  20 o 11 5.88736      0.538042    631.878   -146.503     705.725   -146.503     98.1066   -146.503     
1 1 1 -2  8  21 o 4  1.25641      0.334823    382.525   64.052       82.4051   64.052       107.626   -115.948     
1 1 1 -2  8  22 o 8  1.03897      0.345174    347.899   10.7751      ?         ?            ?         ?            
1 1 1 -2  10 1  o 4  6.84114      0.553597    749.002   -110.051     312.178   -110.051     145       69.9489      
1 1 1 -2  10 2  o 5  18.1322      1.1792      1729.27   -165.316     618.554   -165.316     386.997   14.6837      
1 1 1 -2  10 3  o 9  10.4311      0.576611    383.768   162.118      27.4587   -17.8819     168.791   -17.8819     
1 1 1 -2  10 4  o 13 8.49997      0.666367    1252.8    61.0887      220.913   61.0887      398.991   -118.911     
1 1 1 -2  10 5  f 0  9.11495      0.529718    108.31    -38.4033     21.5069   -38.4033     33.7547   141.597      
1 1 1 -2  10 6  o 9  22.9253      1.18562     283.003   -40.1173     1004.9    -40.1173     384.349   -40.1173     
1 1 1 -2  10 7  f 0  2.83757      0.359147    710.395   -71.3671     357.349   108.633      481.163   108.633      
1 1 1 -2  10 8  o 6  5.25315      0.785284    1073.73   19.6657      69.8485   -160.334     502.685   -160.334     
1 1 1 -2  10 9  o 1  14.9649      0.935666    1152.07   -131.001     722.754   -131.001     151.409   48.9989      
1 1 1 -2  10 10 o 16 26.5662      1.74972     893.439   -57.713      1578.93   -57.713      385.782   -57.713      
1 1 1 -2  10 11 o 18 1.70087      0.406973    896.743   -87.7693     435.527   92.2307      625.005   92.2307      
1 1 1 -2  10 12 o 7  20.6188      1.16877     1203.72   92.8523      1249.32   92.8523      79.7229   92.8523      
1 1 1 -2  10 13 o 4  1.62829      0.437748    274.976   126.859      84.8622   -53.1405     166.481   -53.1405     
1 1 1 -2  10 14 o 1  4.88068      0.62087     955.931   51.5367      183.901   51.5367      341.39    -128.463     
1 1 1 -2  10 15 o 1  1.87457      0.330776    93.3039   -58.7722     0.492141  -58.7722     42.5031   121.228      
1 1 1 -2  10 16 f 0  6.93959      0.662409    788.26    -140.316     623.923   -140.316     47.3207   39.6843      
1 1 1 -2  10 17 o 17 0.879282     0.337024    323.364   -34.8651     91.5947   145.135      186.717   145.135      
1 1 1 -2  10 18 o 9  0.847599     0.391785    312.75    -29.4774     49.7715   150.523      152.286   150.523      
1 1 1 -2  10 19 o 13 1.28101      0.36609     70.1082   -142.745     80.7174   -142.745     12.8724   -142.745     
1 1 1 -2  10 20 o 14 0.365712     0.29579     223.525   110.387      50.0104   -69.6126     109.048   -69.6126     
1 1 1 -2  12 1  o 15 6.14336      0.352518    1218.59   -144.962     53.092    35.038       572.109   35.038       
1 1 1 -2  12 2  o 12 31.0426      1.25075     1955.25   154.645      1194.11   154.645      280.416   -25.3553     
1 1 1 -2  12 3  o 10 3.01851      0.339289    317.839   119.899      74.6081   -60.1007     180.455   -60.1007     
1 1 1 -2  12 4  o 9  7.41904      0.555695    885.998   -7.1967      279.956   -7.1967      260.632   172.803      
1 1 1 -2  12 5  o 9  1.11207      0.27592     373.738   -169.63      265.72    10.3696      302.378   10.3696      
1 1 1 -2  12 6  o 16 2.55049      0.680636    311.121   -110.325     243.357   69.675       262.969   69.675       
1 1 1 -2  12 7  o 13 18.4706      0.950481    1364.99   111.404      920.512   111.404      158.879   -68.596      
1 1 1 -2  12 8  o 16 19.2098      1.04494     1217.04   -50.7183     1134.73   -50.7183     16.9738   -50.7183     
1 1 1 -2  12 9  o 19 4.84555      0.546587    220.09    -61.6545     234.583   -61.6545     17.993    -61.6545     
1 1 1 -2  12 10 o 6  2.02465      0.40139     149.54    13.6417      5.11413   -166.358     70.1305   -166.358     
1 1 1 -2  12 11 f 0  4.67412      0.526463    347.441   -30.1775     419.251   -30.1775     51.5296   -30.1775     
1 1 1 -2  12 12 o 10 3.27502      0.784004    452.312   -153.874     281.381   -153.874     66.7204   26.1261      
1 1 1 -2  12 13 o 10 2.95168      0.460281    741.382   113.978      115.459   113.978      280.689   -66.0217     
1 1 1 -2  12 14 o 14 1.18525      0.434216    190.166   151.324      6.39045   151.324      80.9098   -28.676      
1 1 1 -2  12 15 o 4  0.578853     0.412107    135.091   36.0508      29.3111   -143.949     71.1459   -143.949     
1 1 1 -2  12 16 o 17 2.59048      0.594898    575.306   -150.609     304.045   -150.609     77.1243   29.3908      
1 1 1 -2  12 17 o 19 1.45503      0.44261     324.066   20.4897      213.888   20.4897      18.9372   -159.51      
1 1 1 -2  12 18 o 18 1.08944      0.612083    148.164   9.54492      134.077   9.54492      11.4649   9.54492      
1 1 1 -2  14 1  o 9  10.4688      0.539235    766.657   -174.283     896.513   -174.283     101.627   -174.283     
1 1 1 -2  14 2  o 17 6.66927      0.723685    592.123   133.941      565.062   133.941      14.6107   133.941      
1 1 1 -2  14 3  o 4  0.660851     0.261638    370.86    105.616      269.434   -74.3841     302.776   -74.3841     
1 1 1 -2  14 4  o 12 4.10076      0.476359    269.361   -58.7762     278.944   -58.7762     17.1026   -58.7762     
1 1 1 -2  14 5  o 19 0.929051     0.338515    596.701   -6.55676     389.266   173.443      466.673   173.443      
1 1 1 -2  14 6  o 18 4.29016      0.454165    347.179   -114.432     395.472   -114.432     38.8253   -114.432     
1 1 1 -2  14 7  o 17 0.593548     0.422302    419.515   68.1955      273.987   -111.805     329.49    -111.805     
1 1 1 -2  14 8  o 8  3.66484      0.415182    369.022   69.8537      380.771   69.8537      21.5307   69.8537      
1 1 1 -2  14 9  o 12 3.08121      0.490139    572.298   -170.604     274.059   -170.604     121.364   9.39568      
1 1 1 -2  14 10 o 15 1.89434      0.571232    352.678   121.41       193.654   121.41       57.9786   -58.5904     
1 1 1 -2  14 11 o 7  1.07701      0.367851    211.046   60.5123      6.90877   60.5123      85.4533   -119.488     
1 1 1 -2  14 12 o 14 1.88604      0.441125    91.6077   -57.4823     88.061    -57.4823     6.9999    -57.4823     
1 1 1 -2  14 13 o 11 1.76556      0.43802     43.1728   -12.6573     78.1438   -12.6573     22.0663   -12.6573     
1 1 1 -2  14 14 o 18 0.479237     0.393251    227.93    129.552      18.4184   -50.4479     97.107    -50.4479     
1 1 1 -2  14 15 o 4  0.0182869    0.375041    117.895   -69.0081     47.8435   110.992      68.1911   110.992      
1 1 1 -2  16 1  o 7  0.0690759    0.273922    150.491   127.473      97.1567   -52.5273     112.375   -52.5273     
1 1 1 -2  16 2  o 17 1.09039      0.35065     64.6767   -158.346     26.0253   -158.346     14.2502   21.6543      
1 1 1 -2  16 3  o 15 0.422734     0.48091     204.779   -56.9116     61.1697   123.088      116.079   123.088      
1 1 1 -2  16 4  o 1  2.60535      0.384959    158.063   -23.1549     321.538   -23.1549     95.6314   -23.1549     
1 1 1 -2  16 5  o 9  0.35288      0.304989    70.8963   171.628      29.4714   -8.37159     43.5142   -8.37159     
1 1 1 -2  16 6  o 10 0.609855     0.283188    264.308   100.537      49.7063   -79.4628     130.554   -79.4628     
1 1 1 -2  16 7  o 1  1.91756      0.33689     247.821   148.508      322.733   148.508      63.4691   148.508      
1 1 1 -2  16 8  o 17 0.570072     0.356784    95.8916   178.384      0.944414  178.384      37.0299   -1.61563     
1 1 1 -2  16 9  o 4  -0.25768     0.130739    128.097   -68.8511     ?         ?            ?         ?            
1 1 1 -2  16 10 o 6  0.469097     0.343976    281.006   -128.29      37.2149   51.7099      124.206   51.7099      
1 1 1 -1  1  1  o 19 1.52085      0.138759    1410.4    -60.2019     1208.42   119.798      1258.6    119.798      
1 1 1 -1  1  2  o 3  38.1744      4.47482     2543.79   102.618      593.605   102.618      905.094   -77.3823     
1 1 1 -1  1  3  o 19 43.3991      3.30892     2001.54   -52.842      1289.95   -52.842      316.893   127.158      
1 1 1 -1  1  4  o 13 67.5249      1.91096     1547.41   -101.404     2282.17   -101.404     395.22    -101.404     
1 1 1 -1  1  5  o 18 34.2485      1.39522     480.081   -29.5374     182.7     -29.5374     136.249   150.463      
1 1 1 -1  1  6  o 6  59.0793      2.19403     1883.37   -131.524     978.891   -131.524     375.869   48.4757      
1 1 1 -1  1  7  o 19 186.446      4.93855     3159.71   102.191      3964.36   102.191      579.046   102.191      
1 1 1 -1  1  8  o 4  99.6282      2.97374     2694.09   -132.314     2520.61   -132.314     93.9061   -132.314     
1 1 1 -1  1  9  o 3  19.8398      0.815471    1156.74   171.803      866.832   171.803      60.5877   -8.1972      
1 1 1 -1  1  10 o 7  37.1303      1.38979     473.764   59.2323      1658.23   59.2323      628.571   59.2323      
1 1 1 -1  1  11 o 5  21.5489      1.03521     1780.02   159.933      755.729   159.933      365.132   -20.0673     
1 1 1 -1  1  12 o 8  12.9413      0.742836    1209      -78.9403     597.98    -78.9403     194.936   101.06       
1 1 1 -1  1  13 o 12 21.9943      1.23598     1263.74   145.088      1319.42   145.088      152.49    145.088      
1 1 1 -1  1  14 o 15 16.3972      0.767174    943.664   -21.9919     1020.53   -21.9919     129.988   -21.9919     
1 1 1 -1  1  15 o 10 36.855       1.33729     1189.68   78.32        1910.63   78.32        459.568   78.32        
1 1 1 -1  1  16 o 14 3.3594       0.432074    829.245   0.00520897   ?         ?            ?         ?            
1 1 1 -1  1  17 o 10 27.1019      1.38931     987.632   -33.6043     1695.13   -33.6043     401.4     -33.6043     
1 1 1 -1  1  18 o 19 11.8623      0.624622    474.887   0.39787      904.151   0.39787      236.704   0.39787      
1 1 1 -1  1  19 o 18 16.7003      0.886579    583.835   26.4522      912.094   26.4522      192.654   26.4522      
1 1 1 -1  1  20 f 0  25.2461      1.0396      1069.78   134.631      1586.54   134.631      305.418   134.631      
1 1 1 -1  1  21 o 7  22.8188      0.905391    776.01    117.163      1760.98   117.163      525.997   117.163      
1 1 1 -1  1  22 o 9  4.77509      0.503918    185.73    -91.1235     591.218   -91.1235     215.72    -91.1235     
1 1 1 -1  1  23 o 15 3.97367      0.526446    284.524   -84.3729     553.424   -84.3729     163.407   -84.3729     
1 1 1 -1  1  24 o 11 0.499264     0.415018    467.004   -32.8176     283.057   147.182      319.958   147.182      
1 1 1 -1  3  1  o 8  110.4        2.56921     1379.63   63.0469      3627.93   63.0469      1149.36   63.0469      
1 1 1 -1  3  2  o 12 28.5172      1.21541     1891.34   18.0103      103.332   18.0103      855.731   -161.99      
1 1 1 -1  3  3  o 11 78.4092      3.32004     1525.88   -79.6444     2615.52   -79.6444     583.474   -79.6444     
1 1 1 -1  3  4  f 0  341.593      26.4058     4962.67   -172.612     5313.55   -172.612     346.182   -172.612     
1 1 1 -1  3  5  o 12 12.4723      0.767594    1306.16   -101.761     ?         ?            ?         ?            
1 1 1 -1  3  6  o 12 88.6781      2.73932     2036.26   135.1        2517.32   135.1        359.089   135.1        
1 1 1 -1  3  7  o 17 111.046      2.87283     3526.76   -175.796     2516.9    -175.796     267.707   4.20398      
1 1 1 -1  3  8  o 5  97.0947      2.54909     2906.58   135.499      2787.33   135.499      151.281   135.499      
1 1 1 -1  3  9  o 14 15.6704      0.861858    1866.1    -153.029     3.35168   -153.029     789.629   26.9715      
1 1 1 -1  3  10 f 0  101.843      3.11982     2115.06   116.183      3573.09   116.183      899.742   116.183      
1 1 1 -1  3  11 o 15 20.1705      0.867463    620.074   24.7491      648.093   24.7491      68.8632   24.7491      
1 1 1 -1  3  12 o 12 4.02489      0.346457    491.326   -51.2155     358.297   128.785      377.349   128.785      
1 1 1 -1  3  13 o 10 70.755       2.05922     1924.88   -105.603     2970.4    -105.603     713.601   -105.603     
1 1 1 -1  3  14 o 12 13.5389      0.730586    1170.03   154.856      747.175   154.856      104.926   -25.144      
1 1 1 -1  3  15 o 6  7.25065      0.639849    669.299   98.0486      ?         ?            ?         ?            
1 1 1 -1  3  16 f 0  9.35754      0.80394     1023.43   -63.6239     21.2023   116.376      466.556   116.376      
1 1 1 -1  3  17 f 0  33.1604      1.41866     561.494   -63.6744     2194.01   -63.6744     842.106   -63.6744     
1 1 1 -1  3  18 o 3  31.8083      1.21604     1066.94   -26.6868     1873.71   -26.6868     454.47    -26.6868     
1 1 1 -1  3  19 o 18 3.0171       0.375784    413.943   156.221      18.9052   -23.7789     196.619   -23.7789     
1 1 1 -1  3  20 f 0  2.66067      0.398775    643.263   68.5143      48.8917   -111.486     319.295   -111.486     
1 1 1 -1  3  21 f 0  6.57323      0.527586    559.835   -108.552     690.141   -108.552     92.8211   -108.552     
1 1 1 -1  3  22 o 2  3.0195       0.428616    104.778   93.2466      136.564   93.2466      24.5864   93.2466      
1 1 1 -1  3  23 o 2  4.02624      0.47796     159.634   60.7874      533.523   60.7874      203.984   60.7874      
1 1 1 -1  3  24 o 7  1.11395      0.435839    76.4142   -113.768     57.7942   -113.768     0.245461  -113.768     
1 1 1 -1  5  1  o 9  71.4854      3.45129     1925.73   56.6547      2350.53   56.6547      317.262   56.6547      
1 1 1 -1  5  2  o 15 23.5338      0.986433    1063.37   -118.02      437.342   -118.02      252.053   61.9795      
1 1 1 -1  5  3  o 9  16.0926      0.682065    644.995   -149.853     86.5921   30.1473      326.102   30.1473      
1 1 1 -1  5  4  o 7  46.1123      1.84811     1564.3    176.278      1838.35   176.278      240.498   176.278      
1 1 1 -1  5  5  o 16 18.4259      1.08798     1432.84   0.637212     504.64    0.637212     363.527   -179.363     
1 1 1 -1  5  6  o 11 39.4817      1.54219     2030.58   -67.8636     983.867   -67.8636     374.707   112.136      
1 1 1 -1  5  7  o 13 16.9017      1.1735      634.632   -47.5458     504.596   -47.5458     16.9602   132.454      
1 1 1 -1  5  8  o 19 0.959696     0.188798    559.044   56.3652      ?         ?            ?         ?            
1 1 1 -1  5  9  o 11 14.6165      0.833377    939.824   54.175       685.927   54.175       47.2104   -125.825     
1 1 1 -1  5  10 o 11 25.979       0.961058    1040.93   -61.2222     1695.31   -61.2222     423.235   -61.2222     
1 1 1 -1  5  11 o 1  28.3892      1.24288     1133.4    119.488      1443.12   119.488      266.309   119.488      
1 1 1 -1  5  12 o 11 12.2117      0.670104    1411.25   -67.3273     372.185   -67.3273     380.703   112.673      
1 1 1 -1  5  13 o 12 11.7081      0.829098    1074.23   -75.1046     422.792   -75.1046     230.004   104.895      
1 1 1 -1  5  14 o 19 54.1134      1.823       1776.19   -58.9603     2305.59   -58.9603     392.545   -58.9603     
1 1 1 -1  5  15 o 3  7.63725      0.471168    622.462   9.44726      485.359   -170.553     519.912   -170.553     
1 1 1 -1  5  16 o 6  18.5737      0.867096    742.876   104.38       1340.46   104.38       333.108   104.38       
1 1 1 -1  5  17 o 15 8.49138      0.517685    574.082   172.624      611.784   172.624      46.1105   172.624      
1 1 1 -1  5  18 f 0  33.8471      1.30647     524.934   -16.3845     2439.08   -16.3845     982.507   -16.3845     
1 1 1 -1  5  19 o 12 10.3144      0.747845    258.267   143.907      908.795   143.907      336.305   143.907      
1 1 1 -1  5  20 f 0  2.97098      0.759364    518.138   147.533      164.456   -32.4672     318.113   -32.4672     
1 1 1 -1  5  21 o 9  2.26116      0.376928    393.945   -124.261     ?         ?            ?         ?            
1 1 1 -1  5  22 o 4  10.5294      0.925693    816.329   -73.3607     1020.75   -73.3607     185.625   -73.3607     
1 1 1 -1  5  23 f 0  12.7721      0.774189    819.318   58.2083      1280.14   58.2083      326.602   58.2083      
1 1 1 -1  7  1  o 11 0.496923     0.268001    319.397   74.3745      ?         ?            ?         ?            
1 1 1 -1  7  2  o 12 2.79303      0.327961    747.36    -81.5127     545.07    98.4873      589.409   98.4873      
1 1 1 -1  7  3  o 7  15.8655      0.709774    1602.97   -151.174     518.429   -151.174     418.783   28.8265      
1 1 1 -1  7  4  o 18 2.18164      0.341954    1074.02   -113.488     857.449   66.5117      881.189   66.5117      
1 1 1 -1  7  5  o 1  4.73617      0.702779    690.605   -155.92      18.6388   24.0801      298.421   24.0801      
1 1 1 -1  7  6  o 14 12.9164      0.582188    1753.77   -33.6477     1.22875   146.352      727.875   146.352      
1 1 1 -1  7  7  o 8  0.630652     0.202083    615.692   97.0459      458.855   -82.9541     481.599   -82.9541     
1 1 1 -1  7  8  o 4  15.9618      0.878272    956.224   33.0064      1020.33   33.0064      123.588   33.0064      
1 1 1 -1  7  9  o 17 41.0134      1.69897     2529.1    -24.2447     1410.88   -24.2447     308.386   155.755      
1 1 1 -1  7  10 o 10 50.8871      2.12698     1796.61   -172.229     2251.81   -172.229     403.577   -172.229     
1 1 1 -1  7  11 o 18 33.7607      1.63963     1242.44   -14.6272     1914.82   -14.6272     448.129   -14.6272     
1 1 1 -1  7  12 o 9  5.67059      0.542756    779.402   -160.698     93.0539   -160.698     283.961   19.3017      
1 1 1 -1  7  13 o 19 5.73024      0.386945    310.253   43.8096      200.593   -136.19      236.867   -136.19      
1 1 1 -1  7  14 o 12 55.9919      2.02596     2184.68   19.1156      1864.68   19.1156      54.1354   -160.884     
1 1 1 -1  7  15 o 18 11.2525      0.733247    1316.09   87.2259      484.586   87.2259      355.172   -92.7741     
1 1 1 -1  7  16 o 6  15.8615      0.837672    1346.43   -127.436     817.061   -127.436     199.326   52.5639      
1 1 1 -1  7  17 o 11 3.20983      0.448396    232.326   96.3967      139.279   96.3967      35.5502   -83.6033     
1 1 1 -1  7  18 o 10 3.30687      0.577237    395.752   102.23       126.109   102.23       118.373   -77.7697     
1 1 1 -1  7  19 o 15 1.58613      0.320918    111.958   47.7965      57.2422   47.7965      22.0154   -132.203     
1 1 1 -1  7  20 o 1  0.777382     0.32736     249.572   19.5295      135.232   -160.47      173.231   -160.47      
1 1 1 -1  7  21 o 7  1.25865      0.299533    433.912   -106.366     37.4515   -106.366     153.396   73.6344      
1 1 1 -1  7  22 f 0  0.86862      0.310188    209.588   -124.397     102.832   -124.397     28.6598   55.6034      
1 1 1 -1  9  1  o 12 1.87833      0.193187    792.965   146.674      420.124   -33.3261     530.89    -33.3261     
1 1 1 -1  9  2  o 2  15.2911      0.757905    1219.29   107.884      875.029   107.884      54.756    -72.1156     
1 1 1 -1  9  3  o 13 6.59039      0.655412    429.277   -144.357     344.378   -144.357     0.588176  35.6431      
1 1 1 -1  9  4  o 11 34.4573      1.46088     1704.42   -162.325     1688.53   -162.325     160.406   -162.325     
1 1 1 -1  9  5  o 3  2.29162      0.245664    543.05    -122.022     138.44    57.9784      286.774   57.9784      
1 1 1 -1  9  6  o 10 31.5971      1.33019     1871.46   120.446      1340.95   120.446      81.0707   -59.5545     
1 1 1 -1  9  7  o 8  3.68592      0.385658    451.762   40.2675      43.7922   -139.732     204.957   -139.732     
1 1 1 -1  9  8  o 9  31.1247      2.53767     1563.02   -71.394      1571.24   -71.394      141.086   -71.394      
1 1 1 -1  9  9  o 4  18.1142      1.65594     923.398   149.714      1177.83   149.714      198.29    149.714      
1 1 1 -1  9  10 o 16 30.6537      1.5329      1716.59   -57.9721     1205.75   -57.9721     144.966   122.028      
1 1 1 -1  9  11 o 19 6.25847      0.705785    1239.02   -178.311     266.84    1.68898      687.223   1.68898      
1 1 1 -1  9  12 o 5  11.582       0.89767     854.494   33.3123      690.433   33.3123      42.1542   -146.688     
1 1 1 -1  9  13 o 10 5.85093      0.512412    300.882   3.53185      229.224   3.53185      21.8779   -176.468     
1 1 1 -1  9  14 o 15 10.0889      0.799401    667.26    -81.8882     848.646   -81.8882     123.136   -81.8882     
1 1 1 -1  9  15 o 19 2.5597       0.420546    200.877   -15.4878     108.987   164.512      145.374   164.512      
1 1 1 -1  9  16 o 2  4.45085      0.473437    392.904   67.0069      407.451   67.0069      23.9239   67.0069      
1 1 1 -1  9  17 o 18 3.06451      0.451571    116.679   177.058      95.3362   177.058      5.58599   -2.94174     
1 1 1 -1  9  18 o 11 3.7456       0.441429    102.779   136.926      258.015   136.926      84.2259   136.926      
1 1 1 -1  9  19 o 1  2.20285      0.408336    437.658   -117.88      285.754   -117.88      34.7697   62.1196      
1 1 1 -1  9  20 o 10 2.90011      0.539261    512.538   -68.7303     428       -68.7303     13.6307   -68.7303     
1 1 1 -1  9  21 o 9  0.194029     0.301968    337.682   -156.732     95.9034   23.2684      174.482   23.2684      
1 1 1 -1  11 1  o 11 5.01314      0.586691    39.4541   28.0604      8.73949   28.0604      12.251    -151.94      
1 1 1 -1  11 2  o 13 0.990491     0.246003    378.579   -16.6822     ?         ?            ?         ?            
1 1 1 -1  11 3  o 2  1.9589       0.291395    940.205   -162.782     ?         ?            ?         ?            
1 1 1 -1  11 4  o 12 4.13451      0.378189    627.639   153.432      215.359   -26.5677     378.307   -26.5677     
1 1 1 -1  11 5  o 12 28.145       1.17291     1440.81   103.845      1405.68   103.845      73.2936   103.845      
1 1 1 -1  11 6  o 7  1.40774      0.246244    825.705   165.354      518.283   -14.646      625.085   -14.646      
1 1 1 -1  11 7  o 9  2.10594      0.419784    934.289   -58.0593     504.85    121.941      671.846   121.941      
1 1 1 -1  11 8  o 1  4.41127      0.413836    530.382   64.8111      97.883    64.8111      191.254   -115.189     
1 1 1 -1  11 9  o 16 12.5892      0.831116    953.394   -97.4685     798.586   -97.4685     33.6722   82.5315      
1 1 1 -1  11 10 o 4  1.45153      0.345961    238.341   -100.368     132.161   79.6324      174.039   79.6324      
1 1 1 -1  11 11 o 13 6.38283      0.663582    854.375   -14.7285     386.593   -14.7285     192.274   165.271      
1 1 1 -1  11 12 o 10 1.49158      0.755626    202.682   -170.577     49.8798   9.42315      116.538   9.42315      
1 1 1 -1  11 13 o 16 3.98651      0.840936    505.879   113.462      277.976   113.462      91.6403   -66.5378     
1 1 1 -1  11 14 o 10 9.0796       0.858539    591.166   -20.3775     924.959   -20.3775     191.22    -20.3775     
1 1 1 -1  11 15 o 7  0.673729     0.357177    424.2     24.8344      174.102   -155.166     278.447   -155.166     
1 1 1 -1  11 16 o 14 1.24401      0.333767    568.615   25.7191      231.066   -154.281     359.052   -154.281     
1 1 1 -1  11 17 o 11 2.80002      0.45501     246.33    127.105      445.953   127.105      123.693   127.105      
1 1 1 -1  11 18 o 19 0.961305     0.30332     96.336    175.506      74.8399   175.506      0.222533  -4.49427     
1 1 1 -1  11 19 o 5  0.75638      0.336414    309.126   -0.165351    73.9769   -0.165351    78.9351   179.835      
1 1 1 -1  13 1  o 5  3.69803      0.391665    340.178   138.809      79.3185   138.809      114.614   -41.1905     
1 1 1 -1  13 2  o 5  2.44487      0.340808    769.867   -143.207     294.304   36.7935      496.104   36.7935      
1 1 1 -1  13 3  o 13 1.48741      0.284851    398.36    -47.2646     215.89    132.735      288.326   132.735      
1 1 1 -1  13 4  o 5  0.991191     0.346954    689.913   40.6671      439.657   -139.333     531.78    -139.333     
1 1 1 -1  13 5  o 1  0.753104     0.298129    362.069   108.119      229.486   -71.8806     278.208   -71.8806     
1 1 1 -1  13 6  o 17 9.88714      0.660823    848.219   113.827      743.496   113.827      10.9056   -66.1729     
1 1 1 -1  13 7  o 16 9.84768      0.668186    639.54    -167.324     878.656   -167.324     150.46    -167.324     
1 1 1 -1  13 8  o 3  0.963388     0.33215     167.98    -37.0824     81.4714   142.918      116.934   142.918      
1 1 1 -1  13 9  o 4  5.78296      0.644097    450.059   -66.4272     515.45    -66.4272     52.202    -66.4272     
1 1 1 -1  13 10 f 0  2.11637      0.337029    605.175   48.4454      12.2419   -131.555     283.801   -131.555     
1 1 1 -1  13 11 o 3  2.5671       0.624908    459.779   83.3946      211.952   83.3946      103.742   -96.6054     
1 1 1 -1  13 12 o 13 6.84484      0.711596    683.102   -0.973985    668.866   -0.973985    30.9518   -0.973985    
1 1 1 -1  13 13 o 6  1.92123      0.519857    581.187   -173.967     87.8814   -173.967     202.375   6.03269      
1 1 1 -1  13 14 o 13 3.33996      0.488609    346.561   -2.59848     491.298   -2.59848     105.794   -2.59848     
1 1 1 -1  13 15 o 1  1.59943      0.468648    490.15    127.099      186.819   127.099      98.9843   -52.9012     
1 1 1 -1  13 16 o 2  0.635386     0.502225    221.641   -156.45      9.54715   -156.45      79.648    23.5499      
1 1 1 -1  15 1  o 1  6.40833      0.488457    373.516   165.753      604.198   165.753      130.832   165.753      
1 1 1 -1  15 2  o 12 0.639936     0.319892    267.142   158.221      136.02    -21.7788     190.405   -21.7788     
1 1 1 -1  15 3  o 14 2.28371      0.41664     259.063   -82.3377     99.035    -82.3377     68.9325   97.6623      
1 1 1 -1  15 4  o 4  0.361933     0.263721    425.967   -59.2802     337.157   120.72       362.463   120.72       
1 1 1 -1  15 5  o 18 1.79036      0.355857    417.766   155.464      69.3799   155.464      153.805   -24.5357     
1 1 1 -1  15 6  o 11 1.76459      0.335864    326.525   47.2104      111.25    47.2104      89.4971   -132.79      
1 1 1 -1  15 7  o 10 3.81846      0.418553    427.511   -3.11419     491.94    -3.11419     60.272    -3.11419     
1 1 1 -1  15 8  o 13 0.543161     0.346913    101.846   -52.6791     33.4968   127.321      59.6804   127.321      
1 1 1 -1  15 9  o 15 0.476062     0.410655    218.289   20.6714      59.8141   -159.329     119.021   -159.329     
1 1 1 -1  15 10 o 5  0.44688      0.313532    87.7519   -41.3803     49.4732   138.62       59.6523   138.62       
1 1 1 -1  15 11 o 15 1.89786      0.503202    335.358   116.324      287.291   116.324      12.3128   116.324      
1 1 1 -1  15 12 o 6  2.61509      0.624783    366.191   -112.208     466.599   -112.208     92.9491   -112.208     
1 1 1 -1  15 13 o 6  0.976991     0.423377    235.86    35.8742      123.206   35.8742      27.09     -144.126     
1 1 1 -1  17 1  o 9  -0.0649003   0.321566    177.093   -26.5552     91.0063   153.445      114.693   153.445      
1 1 1 -1  17 2  o 4  0.177373     0.272181    135.487   55.6983      65.2475   -124.302     85.4473   -124.302     
1 1 1 -1  17 3  o 8  0.735763     0.312131    162.284   30.3845      35.9893   30.3845      45.0215   -149.615     
1 1 1 -1  17 4  o 15 -0.0275492   0.325665    390.368   -7.07134     199.182   172.929      250.099   172.929      
1 1 1 -1  17 5  f 0  -0.130094    0.284077    147.594   91.3136      73.4794   -88.6864     92.9813   -88.6864     
1 1 1 -1  17 6  f 0  0.536451     0.319119    185.062   -101.242     32.9873   -101.242     53.0276   78.7577      
1 1 1 -1  17 7  o 19 1.00942      0.510627    112.598   5.31515      107.706   5.31515      11.2048   5.31515      
1 1 1 0   0  1  o 5  0.00592465   0.0122452   1323.72   180          1208.16   4.0745e-18   1208.51   2.03666e-18  
1 1 1 0   0  2  o 16 0.355155     0.414163    1003.54   180          915.087   1.7921e-16   926.773   8.8475e-17   
1 1 1 0   0  3  o 6  0.845599     0.662644    704.508   0            639.501   180          656.911   180          
1 1 1 0   0  4  o 5  1.15464      0.188853    212.291   0            185.73    180          195.288   180          
1 1 1 0   0  5  o 14 5.70218      0.472429    1582.45   0            910.506   180          1208.23   180          
1 1 1 0   0  6  o 18 106.397      4.47447     3134.38   0            2532.95   0            179.408   180          
1 1 1 0   0  7  o 7  1.6657       0.387786    479.084   0            372.452   180          399.582   180          
1 1 1 0   0  8  o 5  153.245      7.42086     2931.23   0            3965.25   0            711.757   0            
1 1 1 0   0  9  o 6  85.9002      3.23252     2608.68   0            2647.33   0            208.96    0            
1 1 1 0   0  10 o 9  4.61941      0.59384     749.391   180          99.8033   3.76085e-14  367.268   5.10995e-15  
1 1 1 0   0  11 o 11 0.588157     0.248026    200.269   0            145.495   180          156.4     180          
1 1 1 0   0  12 o 11 24.7368      1.76058     2140.52   180          860.816   180          444.671   2.06e-14     
1 1 1 0   0  13 o 17 74.5341      2.86054     2553.01   0            2488.4    0            219.268   0            
1 1 1 0   0  14 f 0  6.9764       0.74817     830.475   180          367.483   180          150.813   2.41142e-14  
1 1 1 0   0  15 o 5  15.8265      1.2494      382.407   0            824.79    0            253.136   0            
1 1 1 0   0  16 o 16 30.1126      1.76302     1060.52   0            1909.43   0            491.321   0            
1 1 1 0   0  17 o 14 12.1933      0.891606    287.065   0            550.591   0            145.624   0            
1 1 1 0   0  18 o 14 0.224388     0.441661    34.8149   180          29.3184   5.4099e-16   30.4487   2.60455e-16  
1 1 1 0   0  19 o 14 29.9818      1.64576     782.976   0            2162.02   0            727.775   0            
1 1 1 0   0  20 o 8  5.8128       0.68272     75.6885   180          166.175   180          48.569    180          
1 1 1 0   0  21 o 4  3.35031      0.798347    388.497   180          353.399   180          0.744531  3.33757e-12  
1 1 1 0   0  22 o 4  1.05012      0.639214    256       0            48.7189   180          134.393   180          
1 1 1 0   0  23 o 17 11.5029      2.87116     865.067   0            899.531   0            105.442   0            
1 1 1 0   0  24 o 19 -0.299858    0.404421    88.4777   180          53.2952   1.8773e-15   60.4246   8.27899e-16  
1 1 1 0   2  0  o 7  92.2647      7.4788      3124.34   0.106464     1527.35   0.106464     724.771   -179.894     
1 1 1 0   2  1  o 5  3.8743       0.159186    336.987   140.483      208.982   -39.5174     265.593   -39.5174     
1 1 1 0   2  2  o 2  75.1056      1.99191     988.441   135.349      2647.12   135.349      847.754   135.349      
1 1 1 0   2  3  o 13 0.952787     0.190673    565.174   -66.9348     502.784   113.065      523.989   113.065      
1 1 1 0   2  4  o 11 33.807       1.61262     1202.39   -12.9992     956.541   -12.9992     95.6575   167.001      
1 1 1 0   2  5  o 11 300.552      9.31595     3237.75   146.45       5781.76   146.45       1382.39   146.45       
1 1 1 0   2  6  o 15 78.1803      2.66851     1615.39   -67.674      2510.97   -67.674      526.369   -67.674      
1 1 1 0   2  7  o 19 2.4315       0.250685    1138.46   176.191      790.624   -3.80914     894.426   -3.80914     
1 1 1 0   2  8  o 17 71.7971      2.26742     2526.12   18.4395      2001.08   18.4395      85.8708   -161.56      
1 1 1 0   2  9  o 13 15.6559      0.758586    918.829   72.5597      637.453   72.5597      72.421    -107.44      
1 1 1 0   2  10 o 18 3.72807      0.440162    258.943   105.682      35.3435   -74.3185     126.876   -74.3185     
1 1 1 0   2  11 o 11 72.2789      2.50783     1992.46   -35.7109     2672.98   -35.7109     509.851   -35.7109     
1 1 1 0   2  12 o 10 6.68842      0.539844    993.963   83.0617      251.189   83.0617      277.948   -96.9383     
1 1 1 0   2  13 f 0  3.83552      0.391961    447.658   56.1172      42.8813   56.1172      157.926   -123.883     
1 1 1 0   2  14 o 15 5.56454      0.491607    1073.38   -93.4418     30.2235   -93.4418     419.998   86.5582      
1 1 1 0   2  15 o 14 63.6683      2.17742     1992.44   119.469      2349.18   119.469      334.917   119.469      
1 1 1 0   2  16 o 7  44.643       1.82722     1726.33   167.931      1803.72   167.931      139.758   167.931      
1 1 1 0   2  17 o 9  7.61272      0.591799    755.693   -86.0686     343.585   -86.0686     170.677   93.9314      
1 1 1 0   2  18 o 7  20.2414      0.964154    1339      -88.1126     990.63    -88.1126     111.042   91.8874      
1 1 1 0   2  19 o 2  16.6005      0.93308     985.409   119.017      1080.48   119.017      95.3686   119.017      
1 1 1 0   2  20 o 15 3.69385      0.455135    729.136   -106.11      157.14    -106.11      254.917   73.8903      
1 1 1 0   2  21 o 7  2.60939      0.375391    563.207   98.0655      159.338   98.0655      176.103   -81.9345     
1 1 1 0   2  22 f 0  24.7006      1.16637     1149.16   125.934      1566.89   125.934      297.141   125.934      
1 1 1 0   2  23 o 5  11.2647      0.687413    203.23    -25.5359     1322.89   -25.5359     581.107   -25.5359     
1 1 1 0   2  24 o 19 5.22812      0.575324    319.686   131.51       826.586   131.51       292.564   131.51       
1 1 1 0   4  0  o 7  17.6446      1.28314     662.522   86.6059      223.186   -93.3941     422.123   -93.3941     
1 1 1 0   4  1  o 11 16.8179      0.671296    1773.48   -89.2277     186.119   90.7723      921.889   90.7723      
1 1 1 0   4  2  o 4  47.8947      2.19556     1785.1    103.387      1347.24   103.387      153.273   -76.6135     
1 1 1 0   4  3  o 3  1.42692      0.246194    751.554   -83.6308     613.608   96.3692      649.862   96.3692      
1 1 1 0   4  4  o 11 39.2819      1.49947     959.655   -20.2411     1186.75   -20.2411     163.524   -20.2411     
1 1 1 0   4  5  o 13 64.199       2.01605     2270.76   148.398      1800.71   148.398      97.0617   -31.6018     
1 1 1 0   4  6  o 16 28.3969      1.06941     1829.71   176.805      754.844   176.805      413.407   -3.19544     
1 1 1 0   4  7  o 3  17.5084      0.819966    350.979   -137.841     374.449   -137.841     37.1295   -137.841     
1 1 1 0   4  8  o 5  11.9609      0.701863    859.801   -1.59125     455.437   -1.59125     137.331   178.409      
1 1 1 0   4  9  o 10 36.854       1.29009     1831.78   -49.2683     1462.88   -49.2683     39.1338   130.732      
1 1 1 0   4  10 o 19 72.7746      2.4845      2762.14   -165.202     2096.11   -165.202     95.8168   14.7977      
1 1 1 0   4  11 o 10 36.6246      1.50436     1996.85   10.1986      1429.33   10.1986      96.0793   -169.801     
1 1 1 0   4  12 o 18 6.50027      0.484852    1296.14   103.181      67.9833   103.181      485.502   -76.8187     
1 1 1 0   4  13 o 15 26.1244      0.882027    1514.95   16.5829      1259.67   16.5829      17.9144   16.5829      
1 1 1 0   4  14 o 5  18.3406      1.07733     1543.04   -67.0339     740.615   -67.0339     273.873   112.966      
1 1 1 0   4  15 o 3  5.9792       0.512191    395.212   -24.5181     129.562   -24.5181     107.81    155.482      
1 1 1 0   4  16 o 16 3.21892      0.454577    798.423   175.176      197.875   -4.82384     459.103   -4.82384     
1 1 1 0   4  17 o 19 10.5318      0.569125    189.376   82.487       397.549   82.487       112.828   82.487       
1 1 1 0   4  18 o 17 20.8766      1.20053     342.093   -123.481     1471.21   -123.481     581.259   -123.481     
1 1 1 0   4  19 o 13 11.1991      0.566941    445.322   -54.6214     1007.63   -54.6214     301.41    -54.6214     
1 1 1 0   4  20 o 11 13.4394      0.81922     420.679   -93.6668     1282.6    -93.6668     448.376   -93.6668     
1 1 1 0   4  21 o 2  1.68642      0.529191    379.082   -44.0248     102.955   -44.0248     115.361   135.975      
1 1 1 0   4  22 o 4  0.650639     0.371189    331.472   106.96       61.9833   -73.0403     165.402   -73.0403     
1 1 1 0   4  23 o 19 15.353       0.787943    353.2     -144.061     1648.93   -144.061     687.086   -144.061     
1 1 1 0   6  0  o 7  24.1295      2.52117     1647.04   101.577      80.7535   101.577      669.808   -78.4226     
1 1 1 0   6  1  o 1  17.1203      0.865035    1583.95   77.5134      272.98    77.5134      545.827   -102.487     
1 1 1 0   6  2  o 4  10.6803      0.625124    2084.9    166.528      453.596   -13.4719     1122.55   -13.4719     
1 1 1 0   6  3  o 12 51.0157      2.11256     1847.78   88.8954      1821.81   88.8954      119.866   88.8954      
1 1 1 0   6  4  o 17 44.3105      1.65558     3047.59   153.33       722.133   153.33       938.599   -26.6704     
1 1 1 0   6  5  o 2  28.3849      1.24059     2025.66   127.413      848.14    127.413      436.263   -52.5865     
1 1 1 0   6  6  f 0  7.62616      1.03303     1625.55   85.1391      183.455   -94.8609     778.394   -94.8609     
1 1 1 0   6  7  o 16 5.4058       0.385852    1110.39   135.731      43.6424   -44.2693     486.809   -44.2693     
1 1 1 0   6  8  o 11 3.02201      0.270048    702.781   -6.10213     118.491   173.898      349.661   173.898      
1 1 1 0   6  9  o 16 43.3402      1.61337     1618.21   -153.103     1983.03   -153.103     333.507   -153.103     
1 1 1 0   6  10 o 16 17.0907      0.656482    1353.51   52.1545      882.623   52.1545      102.098   -127.845     
1 1 1 0   6  11 o 2  14.0801      0.851097    967.699   29.3496      863.422   29.3496      43.1854   29.3496      
1 1 1 0   6  12 o 11 2.97824      0.404647    424.736   -17.3259     82.5699   162.674      215.218   162.674      
1 1 1 0   6  13 o 9  56.3         2.12959     1676.06   -126.593     2320.39   -126.593     447.982   -126.593     
1 1 1 0   6  14 o 10 8.23818      0.559754    596.221   -135.402     353.351   -135.402     86.9238   44.5984      
1 1 1 0   6  15 o 1  61.9661      2.0641      1420.55   -26.5821     2658.57   -26.5821     686.156   -26.5821     
1 1 1 0   6  16 o 4  6.3287       0.468921    576.319   114.84       335.418   114.84       93.6266   -65.1604     
1 1 1 0   6  17 o 16 1.29151      0.308179    631.483   -78.9133     286.384   101.087      428.072   101.087      
1 1 1 0   6  18 o 7  3.07751      0.554902    216.381   -93.9543     122.982   -93.9543     36.9064   86.0457      
1 1 1 0   6  19 o 17 2.92404      0.355234    363.859   118.765      231.957   118.765      50.9092   -61.2346     
1 1 1 0   6  20 o 16 17.9442      0.940768    617.479   103.344      1548.66   103.344      501.273   103.344      
1 1 1 0   6  21 o 11 3.32407      0.440563    892.326   -175.643     153.219   -175.643     288.046   4.357        
1 1 1 0   6  22 o 19 1.25109      0.41172     205.177   154.427      146.291   154.427      7.06554   -25.573      
1 1 1 0   6  23 o 10 1.63279      0.628997    427.594   -25.1672     196.814   -25.1672     62.3426   154.833      
1 1 1 0   8  0  o 10 20.3038      1.53584     260.118   126.316      375.318   126.316      79.1374   126.316      
1 1 1 0   8  1  f 0  19.6993      0.791103    812.107   -73.2262     1250.22   -73.2262     286.586   -73.2262     
1 1 1 0   8  2  o 14 21.4434      1.18733     1250.9    27.6669      1152.46   27.6669      56.1855   27.6669      
1 1 1 0   8  3  o 15 15.6066      0.960773    1586.53   -16.4803     582.231   -16.4803     365.408   163.52       
1 1 1 0   8  4  o 7  34.673       1.76685     1069.73   160.815      1955.66   160.815      538.147   160.815      
1 1 1 0   8  5  f 0  30.3755      1.07696     649.26    -116.874     1930.39   -116.874     700.609   -116.874     
1 1 1 0   8  6  o 16 4.67242      0.60775     340.731   14.7525      122.517   14.7525      76.3446   -165.247     
1 1 1 0   8  7  o 1  2.54794      0.338029    1060.81   -171.014     317.711   8.98588      584.37    8.98588      
1 1 1 0   8  8  o 1  21.0779      1.37976     1431.56   136.691      1057.01   136.691      45.561    -43.3091     
1 1 1 0   8  9  o 9  16.8796      1.03334     1553.96   41.3343      693.747   41.3343      282.901   -138.666     
1 1 1 0   8  10 o 1  4.0993       0.748132    351.417   121.852      3.41306   121.852      144.084   -58.1479     
1 1 1 0   8  11 o 19 18.0305      0.893176    1592.39   109.391      652.201   109.391      356.565   -70.6092     
1 1 1 0   8  12 o 6  9.14221      0.748628    476.792   53.459       405.77    53.459       8.30795   -126.541     
1 1 1 0   8  13 o 9  8.54971      0.562396    161.65    -85.9956     194.591   -85.9956     24.1885   -85.9956     
1 1 1 0   8  14 o 15 9.83582      0.67813     823.353   -84.4932     582.379   -84.4932     82.5358   95.5068      
1 1 1 0   8  15 o 16 5.15639      0.442497    447.702   -3.55407     284.285   -3.55407     59.9942   176.446      
1 1 1 0   8  16 o 9  1.80226      0.41315     426.289   162.056      70.9247   -17.9442     228.324   -17.9442     
1 1 1 0   8  17 o 4  14.0525      0.980774    929.216   137.254      986.324   137.254      67.6553   137.254      
1 1 1 0   8  18 o 18 1.081        0.327282    262.315   -162.553     33.8653   17.4469      136.29    17.4469      
1 1 1 0   8  19 o 13 1.07471      0.422585    263.034   139.861      9.87101   139.861      108.256   -40.1395     
1 1 1 0   8  20 o 9  1.50539      0.342768    79.7074   158.947      81.5557   158.947      8.81148   158.947      
1 1 1 0   8  21 o 3  1.4279       0.363861    206.06    -82.9782     220.221   -82.9782     30.2374   -82.9782     
1 1 1 0   10 0  o 19 1.83756      0.388255    386.878   -37.5791     226.714   142.421      268.785   142.421      
1 1 1 0   10 1  o 8  2.96072      0.41361     756.745   -4.42653     150.899   175.573      379.623   175.573      
1 1 1 0   10 2  o 10 19.9999      1.0836      1310.42   40.2544      1058.17   40.2544      1.44333   40.2544      
1 1 1 0   10 3  o 12 32.9711      1.57527     987.972   106.221      1895.21   106.221      548.33    106.221      
1 1 1 0   10 4  f 0  19.5215      0.822341    1776.12   -170.958     698.324   -170.958     373.461   9.04151      
1 1 1 0   10 5  o 16 37.5837      1.34182     1565.61   -41.202      1727.31   -41.202      219.705   -41.202      
1 1 1 0   10 6  o 18 14.9027      0.8334      229.022   8.99148      491.176   8.99148      149.881   8.99148      
1 1 1 0   10 7  o 7  13.9193      0.769758    1319.04   169.917      566.753   169.917      279.287   -10.0833     
1 1 1 0   10 8  o 17 5.14202      0.693295    312.292   149.016      59.9534   149.016      106.335   -30.9843     
1 1 1 0   10 9  o 10 1.462        0.3491      1007.86   -127.646     601.551   52.3541      750.111   52.3541      
1 1 1 0   10 10 o 14 51.4281      2.65764     1719      160.079      2046.68   160.079      245.962   160.079      
1 1 1 0   10 11 o 9  5.21903      0.642622    672.998   63.6264      154.892   63.6264      228.178   -116.374     
1 1 1 0   10 12 f 0  2.70679      0.464691    379.03    -146.58      22.5321   33.4201      182.776   33.4201      
1 1 1 0   10 13 o 11 2.62033      0.439935    616.672   -12.8875     42.8855   167.113      299.645   167.113      
1 1 1 0   10 14 o 5  2.09779      0.56792     693.243   -157.096     118.149   22.9043      373.634   22.9043      
1 1 1 0   10 15 o 6  0.139687     0.307242    215.411   -114.532     163.145   65.4678      180.333   65.4678      
1 1 1 0   10 16 o 6  1.8447       0.368814    206.283   142.618      88.9536   142.618      49.3181   -37.3822     
1 1 1 0   10 17 o 16 0.195231     0.26696     147.423   101.744      90.3637   -78.2556     109.02    -78.2556     
1 1 1 0   10 18 f 0  3.66541      0.478345    513.463   60.1646      463.731   60.1646      23.8702   60.1646      
1 1 1 0   10 19 o 1  0.377573     0.298408    187.009   -65.5675     43.9819   114.432      95.1289   114.432      
1 1 1 0   10 20 o 6  1.22402      0.355771    260.704   31.4098      216.988   31.4098      10.7686   31.4098      
1 1 1 0   12 0  o 16 5.59842      0.742397    615.859   166.813      170.509   -13.1868     360.677   -13.1868     
1 1 1 0   12 1  o 13 4.48304      0.362546    352.409   -22.4422     34.8114   -22.4422     140.343   157.558      
1 1 1 0   12 2  o 14 17.4105      0.739616    742.285   -43.5533     1075.92   -43.5533     204.827   -43.5533     
1 1 1 0   12 3  f 0  16.2145      0.764228    869.975   148.644      967.114   148.644      91.6614   148.644      
1 1 1 0   12 4  o 7  7.62486      0.51018     518.158   114.771      350.656   114.771      59.0129   -65.2288     
1 1 1 0   12 5  o 7  0.477237     0.207618    258.955   -111.319     203.443   68.6806      219.195   68.6806      
1 1 1 0   12 6  o 15 3.51411      0.836559    381.529   -33.0179     8.0757    -33.0179     169.226   146.982      
1 1 1 0   12 7  o 18 6.2107       0.495225    728.085   35.9606      286.628   35.9606      186.867   -144.039     
1 1 1 0   12 8  o 9  9.02882      0.709547    860.293   164.525      543.794   164.525      117.055   -15.4745     
1 1 1 0   12 9  o 2  3.41659      0.463913    692.572   55.2485      38.0462   55.2485      293.425   -124.752     
1 1 1 0   12 10 o 18 5.64286      0.66141     1022.21   -84.3305     159.452   -84.3305     382.376   95.6695      
1 1 1 0   12 11 o 13 4.3327       0.613486    745.171   129.18       214.473   129.18       232.113   -50.8198     
1 1 1 0   12 12 o 1  5.5415       0.877243    672.335   -27.9494     435.389   -27.9494     90.717    152.051      
1 1 1 0   12 13 o 4  3.05511      0.51901     182.457   -37.3578     221.952   -37.3578     27.8276   -37.3578     
1 1 1 0   12 14 o 13 0.668815     0.341341    138.914   150.087      41.9052   -29.9129     82.1111   -29.9129     
1 1 1 0   12 15 o 10 1.10886      0.431551    236.793   -59.607      43.3154   -59.607      76.8053   120.393      
1 1 1 0   12 16 o 18 2.02548      0.557881    363.501   32.5025      272.193   32.5025      8.24503   -147.498     
1 1 1 0   12 17 o 19 0.557899     0.353673    159.768   -165.651     7.73673   -165.651     57.9989   14.3489      
1 1 1 0   12 18 o 12 0.428487     0.351642    168.75    167.396      3.16565   167.396      62.046    -12.604      
1 1 1 0   14 0  o 3  2.78983      0.529099    384.881   -24.4704     116.504   155.53       232.219   155.53       
1 1 1 0   14 1  o 9  3.33798      0.365107    111.129   -15.7419     65.1855   -15.7419     17.6498   164.258      
1 1 1 0   14 2  o 1  9.78325      0.730162    623.684   2.51213      811.926   2.51213      123.759   2.51213      
1 1 1 0   14 3  o 15 0.253109     0.237733    391.988   -125.868     303.548   54.1321      329.423   54.1321      
1 1 1 0   14 4  o 7  4.71167      0.486629    773.58    -150.892     239.451   -150.893     231.775   29.1075      
1 1 1 0   14 5  o 5  1.105        0.318393    213.786   -76.9748     70.1359   103.025      132.562   103.025      
1 1 1 0   14 6  o 19 3.25345      0.38477     299.907   146.305      219.219   146.305      27.702    -33.6946     
1 1 1 0   14 7  o 12 0.992058     0.33465     543.589   -132.469     215.586   47.5309      357.23    47.5309      
1 1 1 0   14 8  o 15 3.38897      0.442737    365.79    -137.169     323.933   -137.169     5.302     42.8308      
1 1 1 0   14 9  o 1  0.881273     0.286139    176.617   147.793      33.1853   -32.2072     96.1889   -32.2072     
1 1 1 0   14 10 o 15 0.654191     0.426082    565.155   0.797878     234.827   -179.202     364.678   -179.202     
1 1 1 0   14 11 o 10 2.09332      0.468471    325.166   -60.3571     242.295   -60.3571     15.2856   119.643      
1 1 1 0   14 12 o 7  3.51565      0.52094     738.041   116.712      301.994   116.712      146.393   -63.2875     
1 1 1 0   14 13 o 18 2.81323      0.450215    487.631   -50.8687     382.782   -50.8687     0.368944  129.131      
1 1 1 0   14 14 o 2  0.355396     0.420997    358.521   -133.696     74.0316   46.3044      174.832   46.3044      
1 1 1 0   14 15 o 2  1.40558      0.475001    172.983   -122.515     217.743   -122.515     43.5755   -122.515     
1 1 1 0   16 0  o 4  1.43412      0.490014    345.048   -69.9657     68.978    110.034      181.113   110.034      
1 1 1 0   16 1  o 13 0.316673     0.287638    285.063   -19.9812     145.785   160.019      193.779   160.019      
1 1 1 0   16 2  f 0  0.375787     0.304223    238.794   7.75033      107.639   -172.25      154.469   -172.25      
1 1 1 0   16 3  f 0  0.77009      0.364852    308.167   -176.605     45.4959   3.3946       151.34    3.3946       
1 1 1 0   16 4  o 14 0.910427     0.304965    300.425   169.845      5.60401   169.845      120.895   -10.1551     
1 1 1 0   16 5  o 9  0.0495525    0.2308      304.125   -12.5811     186.855   167.419      216.744   167.419      
1 1 1 0   16 6  o 19 1.59009      0.343328    209.897   133.879      186.63    133.879      9.46239   133.879      
1 1 1 0   16 7  o 15 1.17977      0.316516    380.152   -108.44      108.597   -108.44      95.7457   71.5599      
1 1 1 0   16 8  o 8  0.027456     0.120826    294.937   -10.0676     189.849   169.932      210.164   169.932      
1 1 1 0   16 9  o 19 0.0194518    0.31118     282.742   173.914      122.127   -6.08624     169.784   -6.08624     
1 1 1 0   16 10 f 0  1.05553      0.379949    624.692   5.5048       19.355    -174.495     244.07    -174.495     
1 1 1 1   1  0  o 14 0.00420211   0.093287    4966.25   142.741      4547.12   -37.2587     4561.56   -37.2587     
1 1 1 1   1  1  o 14 7.34945      0.510926    2154.39   0.608737     926.688   -179.391     1464.54   -179.391     
1 1 1 1   1  2  o 4  23.8733      1.6075      2089.75   31.5013      80.9083   31.5013      949.04    -148.499     
1 1 1 1   1  3  o 15 4.90221      0.345516    709.323   163.563      676.225   -16.4367     679.389   -16.4367     
1 1 1 1   1  4  o 10 48.3966      1.70814     1804.81   138.532      1282.89   138.532      227.752   -41.4676     
1 1 1 1   1  5  o 9  152.992      4.10779     2579.63   23.8826      3988.49   23.8826      774.779   23.8826      
1 1 1 1   1  6  o 16 213.047      6.47726     3549.74   1.32074      4476.9    1.32074      613.706   1.32074      
1 1 1 1   1  7  o 5  229.989      5.80767     3945.19   -19.9647     4339.53   -19.9647     423.609   -19.9647     
1 1 1 1   1  8  o 3  129.689      3.86847     3467.55   116.953      2859.02   116.953      68.7629   -63.0468     
1 1 1 1   1  9  o 6  7.11613      0.555344    560.488   89.5138      106.767   -90.4862     292.509   -90.4862     
1 1 1 1   1  10 o 19 58.9399      1.84805     1293.14   18.1609      2727.55   18.1609      816.999   18.1609      
1 1 1 1   1  11 o 18 25.1667      1.02153     1777.39   76.452       1012.74   76.452       234.01    -103.548     
1 1 1 1   1  12 o 18 20.8578      0.889548    1504.11   4.22261      1054.69   4.22261      85.6667   -175.777     
1 1 1 1   1  13 o 17 9.07057      0.85488     779.081   -17.4894     396.038   -17.4894     114.395   162.511      
1 1 1 1   1  14 f 0  16.2749      0.804135    1247.9    26.3402      854.221   26.3402      76.9104   -153.66      
1 1 1 1   1  15 o 13 37.7006      1.44216     1332.84   -125.855     1862.53   -125.855     373.096   -125.855     
1 1 1 1   1  16 o 8  65.3178      2.10039     1398.98   80.6087      3035.14   80.6087      903.11    80.6087      
1 1 1 1   1  17 o 17 2.91896      0.455251    1069.56   85.2751      ?         ?            ?         ?            
1 1 1 1   1  18 o 3  2.67579      0.351515    686.611   137.274      324.493   -42.7259     473.409   -42.7259     
1 1 1 1   1  19 o 13 59.7472      2.091       1600.05   -92.4915     2688.97   -92.4915     622.443   -92.4915     
1 1 1 1   1  20 o 9  18.6025      1.02134     965.125   0.387235     1200.33   0.387235     159.297   0.387235     
1 1 1 1   1  21 o 13 10.7496      0.782801    573.466   -74.509      906.447   -74.509      192.056   -74.509      
1 1 1 1   1  22 o 2  1.3587       0.481732    124.713   36.6328      1.89363   -143.367     54.075    -143.367     
1 1 1 1   1  23 o 17 6.49998      0.538815    494.277   160.721      864.391   160.721      236.297   160.721      
1 1 1 1   1  24 o 19 3.67706      0.625088    380.29    48.2809      642.374   48.2809      176.964   48.2809      
1 1 1 1   3  0  o 19 16.6251      1.48288     489.373   172.933      138.62    172.933      166.623   -7.06654     
1 1 1 1   3  1  o 3  70.2586      2.01074     2482.74   165.248      1481.96   165.248      454.742   -14.7517     
1 1 1 1   3  2  o 2  77.6851      2.01881     1817.3    -129.672     2531.48   -129.672     394.54    -129.672     
1 1 1 1   3  3  o 14 50.2483      2.61704     2200.5    51.5573      1029.64   51.5573      527.948   -128.443     
1 1 1 1   3  4  o 16 31.5842      1.395       1370.87   -159.106     ?         ?            ?         ?            
1 1 1 1   3  5  o 15 123.821      3.51671     2805.91   -100.856     3268.8    -100.856     365.206   -100.856     
1 1 1 1   3  6  o 12 131.624      3.60489     3165.27   65.3427      3072.8    65.3427      141.714   65.3427      
1 1 1 1   3  7  o 2  30.1566      1.08972     1615.28   155.729      408.889   155.729      493.345   -24.2712     
1 1 1 1   3  8  o 9  7.16306      0.502584    436.229   151.933      ?         ?            ?         ?            
1 1 1 1   3  9  o 12 43.7992      1.68164     1662.28   66.9803      1953.37   66.9803      272.466   66.9803      
1 1 1 1   3  10 o 18 41.1056      1.65305     1432.08   -48.7905     1620.83   -48.7905     210.971   -48.7905     
1 1 1 1   3  11 o 18 100.275      3.15458     2207.81   -150.679     3585.35   -150.679     886.179   -150.679     
1 1 1 1   3  12 o 8  33.9108      1.21098     1371.36   74.763       1926.96   74.763       411.185   74.763       
1 1 1 1   3  13 o 12 8.33332      0.571827    619.174   17.9804      417.38    -162.02      457.084   -162.02      
1 1 1 1   3  14 o 11 6.29183      0.454231    579.209   29.2594      117.73    29.2594      178.921   -150.741     
1 1 1 1   3  15 o 4  95.1724      3.36106     2449.95   -106.042     3176.97   -106.042     537.299   -106.042     
1 1 1 1   3  16 o 14 39.2016      1.19404     1392.16   42.6238      1982.15   42.6238      368.698   42.6238      
1 1 1 1   3  17 o 8  1.66268      0.343492    668.218   36.9976      ?         ?            ?         ?            
1 1 1 1   3  18 o 9  20.5027      1.052       866.064   73.6678      1276.82   73.6678      247.127   73.6678      
1 1 1 1   3  19 o 9  10.0566      0.672432    476.209   10.5043      950.107   10.5043      259.482   10.5043      
1 1 1 1   3  20 o 13 7.63997      0.691586    487.966   34.5935      813.275   34.5935      182.797   34.5935      
1 1 1 1   3  21 o 7  6.17127      0.580553    283.795   46.8583      712.728   46.8583      229.25    46.8583      
1 1 1 1   3  22 o 11 10.7974      0.644624    702.527   -75.4431     1127.57   -75.4431     273.492   -75.4431     
1 1 1 1   3  23 o 17 5.69959      0.525188    612.157   141.579      710.231   141.579      115.158   141.579      
1 1 1 1   3  24 o 5  2.805        0.482252    163.138   -89.2465     529.296   -89.2465     203.458   -89.2465     
1 1 1 1   5  0  o 6  0.951812     0.326064    443.575   2.53388      367.239   -177.466     381.672   -177.466     
1 1 1 1   5  1  o 11 29.4347      1.42971     462.732   78.8653      350.818   78.8653      30.6552   -101.135     
1 1 1 1   5  2  o 14 38.9762      1.36158     1223.85   115.834      1362.5    115.834      139.981   115.834      
1 1 1 1   5  3  o 17 64.7682      2.18407     1407.92   70.5948      2498.05   70.5948      632.408   70.5948      
1 1 1 1   5  4  o 5  5.38949      0.463554    942.166   -45.1707     791.968   134.829      804.292   134.829      
1 1 1 1   5  5  o 14 12.2252      0.762439    118.629   -73.2515     36.7256   -73.2515     32.5805   106.749      
1 1 1 1   5  6  o 6  94.1536      2.89503     1856.27   138.415      3402.25   138.415      909.396   138.415      
1 1 1 1   5  7  o 3  51.5296      2.22499     1960.24   109.776      2045.74   109.776      191.776   109.776      
1 1 1 1   5  8  o 12 17.8689      0.920336    1187.95   99.1579      1049.1    99.1579      25.22     99.1579      
1 1 1 1   5  9  o 4  36.9142      1.31973     2426.82   77.0416      1187.36   77.0416      412.004   -102.958     
1 1 1 1   5  10 o 5  6.26215      0.4864      717.451   -53.0337     7.50445   -53.0337     288.204   126.966      
1 1 1 1   5  11 o 2  60.0032      1.65634     2578.67   165.071      2033.48   165.071      18.0657   -14.9289     
1 1 1 1   5  12 o 3  23.6956      1.03215     1222.14   86.7195      1402.01   86.7195      209.513   86.7195      
1 1 1 1   5  13 o 8  26.9259      1.10027     1696.56   -176.986     1229.91   -176.986     84.8085   3.01441      
1 1 1 1   5  14 o 1  21.122       0.88066     1197.71   156.075      843.092   156.075      93.553    -23.9254     
1 1 1 1   5  15 o 7  64.9568      2.38017     2373.74   166.66       2215.43   166.66       47.0284   166.66       
1 1 1 1   5  16 o 4  0.888108     0.282842    131.663   -58.2429     ?         ?            ?         ?            
1 1 1 1   5  17 o 19 6.16651      0.517012    407.648   -100.59      323.204   -100.59      22.726    79.4105      
1 1 1 1   5  18 o 6  1.46013      0.312818    280.542   64.8776      ?         ?            ?         ?            
1 1 1 1   5  19 o 7  8.21012      0.69891     818.357   123.881      579.699   123.881      84.8442   -56.1188     
1 1 1 1   5  20 o 5  18.5123      1.2976      729.16    12.1449      1580.92   12.1449      459.769   12.1449      
1 1 1 1   5  21 o 19 35.0752      1.33699     1376.93   43.2981      2058.06   43.2981      445.786   43.2981      
1 1 1 1   5  22 o 2  5.14041      0.735122    328.097   145.19       657.077   145.19       198.592   145.19       
1 1 1 1   5  23 o 14 1.98034      0.412037    494.775   -129.833     64.2498   50.1669      220.091   50.1669      
1 1 1 1   7  0  o 9  21.8994      1.44727     1500.41   -8.70194     856.472   -8.70194     209.023   171.298      
1 1 1 1   7  1  o 7  46.8877      1.86159     1865.36   -177.319     1988.08   -177.319     202.169   -177.319     
1 1 1 1   7  2  o 19 19.204       0.835788    1233.68   -35.5069     1002.38   -35.5069     21.7705   144.493      
1 1 1 1   7  3  o 5  10.9743      0.399863    869.126   137.511      422.023   137.511      156.469   -42.4895     
1 1 1 1   7  4  o 7  17.8276      1.13303     1407.34   59.3845      891.704   59.3845      146.703   -120.616     
1 1 1 1   7  5  o 7  8.39164      1.0426      504.034   -44.5445     417.304   -44.5445     2.165     135.456      
1 1 1 1   7  6  o 10 40.263       1.804       1735.73   -175.98      1873.27   -175.98      217.731   -175.98      
1 1 1 1   7  7  o 4  3.40067      0.344062    586.678   -131.148     24.9367   -131.148     227.472   48.852       
1 1 1 1   7  8  o 15 17.4235      0.91978     1693.3    135.753      680.787   135.753      343.309   -44.2467     
1 1 1 1   7  9  o 13 5.09201      0.382019    562.203   -83.9394     364.403   96.0606      407.488   96.0606      
1 1 1 1   7  10 o 9  26.0386      1.21722     1169.98   41.2831      1309.46   41.2831      183.743   41.2831      
1 1 1 1   7  11 o 9  7.5834       0.73262     1043.69   71.2757      137.268   -108.724     497.767   -108.724     
1 1 1 1   7  12 o 13 4.89034      0.527226    342.396   38.8798      40.1413   38.8798      125.718   -141.12      
1 1 1 1   7  13 o 8  43.0935      1.80622     1253.02   95.3721      2268.71   95.3721      580.807   95.3721      
1 1 1 1   7  14 o 4  48.4825      1.78783     1628.76   -159.172     1980.74   -159.172     253.778   -159.172     
1 1 1 1   7  15 o 11 0.542018     0.256739    886.733   -88.5652     ?         ?            ?         ?            
1 1 1 1   7  16 o 9  5.68309      0.613791    331.956   72.2714      193.963   72.2714      52.8237   -107.729     
1 1 1 1   7  17 o 17 1.42152      0.40558     231.496   85.5167      80.548    -94.4833     145.216   -94.4833     
1 1 1 1   7  18 o 6  9.65003      0.757484    404.258   82.2782      1024.22   82.2782      326.66    82.2782      
1 1 1 1   7  19 o 1  -0.0325351   0.253238    156.07    35.5231      ?         ?            ?         ?            
1 1 1 1   7  20 o 8  4.15418      0.440503    184.107   -9.61851     549.291   -9.61851     197.415   -9.61851     
1 1 1 1   7  21 o 9  3.20914      0.382058    232.799   74.2126      534.189   74.2126      175.102   74.2126      
1 1 1 1   7  22 o 8  0.855485     0.373394    398.543   -82.1686     47.253    -82.1686     127.608   97.8314      
1 1 1 1   9  0  o 16 0.624243     0.218949    758.711   36.0281      496.832   -143.972     555.598   -143.972     
1 1 1 1   9  1  o 14 7.83488      0.446596    1503.65   91.4846      140.476   91.4846      538.028   -88.5154     
1 1 1 1   9  2  o 9  11.8832      0.755941    1134.8    -54.9208     614.461   -54.9208     150.79    125.079      
1 1 1 1   9  3  o 4  3.16557      0.63067     499.941   149.068      70.3598   -30.9323     236.326   -30.9323     
1 1 1 1   9  4  o 16 10.7656      0.647562    1104.97   54.6439      309.258   54.6439      288.592   -125.356     
1 1 1 1   9  5  o 6  1.92121      0.23659     349.269   -138.251     119.963   41.7491      199.907   41.7491      
1 1 1 1   9  6  o 5  23.7799      1.17536     1652.57   -90.4723     1001.03   -90.4723     163.532   89.5277      
1 1 1 1   9  7  o 9  6.46734      0.502601    1372.14   -27.129      6.4262    -27.129      553.612   152.871      
1 1 1 1   9  8  o 19 5.21489      0.783186    348.281   155.046      141.983   -24.9539     214.958   -24.9539     
1 1 1 1   9  9  o 6  1.75677      0.425772    1130.55   161.568      ?         ?            ?         ?            
1 1 1 1   9  10 f 0  33.4723      1.93849     1751.42   109.028      1337.07   109.028      96.857    -70.9716     
1 1 1 1   9  11 o 19 19.5653      1.09461     675.727   -81.0158     1313.36   -81.0158     353.987   -81.0158     
1 1 1 1   9  12 o 11 8.59767      0.621468    690.65    73.1843      428.544   73.1843      99.0319   -106.816     
1 1 1 1   9  13 o 18 5.59538      0.46953     654.241   -161.842     239.898   -161.842     176.689   18.1577      
1 1 1 1   9  14 f 0  0.619342     0.322026    397.548   141.659      ?         ?            ?         ?            
1 1 1 1   9  15 o 6  16.7041      1.1845      894.501   114.338      1272.5    114.338      231.162   114.338      
1 1 1 1   9  16 o 19 3.07256      0.481839    242.595   -82.3687     159.971   -82.3687     31.1452   97.6313      
1 1 1 1   9  17 o 10 8.75717      0.642358    734.771   -101.015     820.555   -101.015     75.7986   -101.015     
1 1 1 1   9  18 o 3  4.09304      0.505626    297.26    4.35655      529.941   4.35655      136.428   4.35655      
1 1 1 1   9  19 o 14 1.41487      0.361496    459.859   98.9022      81.7144   98.9022      144.649   -81.0978     
1 1 1 1   9  20 o 19 0.468557     0.388973    114.164   76.0377      59.0997   -103.962     74.0408   -103.962     
1 1 1 1   9  21 f 0  -0.0894798   0.262705    209.795   8.69871      104.848   -171.301     131.351   -171.301     
1 1 1 1   11 0  o 11 3.12978      0.318352    517.288   52.1013      113.766   -127.899     274.494   -127.899     
1 1 1 1   11 1  o 17 4.78578      0.431228    1220.97   37.2002      202.955   -142.8       616.011   -142.8       
1 1 1 1   11 2  o 5  15.949       0.873132    1215.7    -146.024     898.357   -146.024     65.6697   33.9757      
1 1 1 1   11 3  o 6  32.0962      1.36764     1058.05   104.194      1917.9    104.194      507.195   104.194      
1 1 1 1   11 4  o 19 16.0773      0.719212    1551.91   -125.589     644.302   -125.589     347.903   54.4106      
1 1 1 1   11 5  o 3  10.903       0.749714    992.705   -23.8095     308.306   -23.8095     280.26    156.19       
1 1 1 1   11 6  o 14 2.7504       0.414659    946.366   -31.1854     331.447   148.815      585.774   148.815      
1 1 1 1   11 7  o 2  5.11083      0.523128    328.749   -102.149     111.277   -102.149     92.1196   77.8509      
1 1 1 1   11 8  o 3  0.586655     0.282146    141.315   98.7311      125.119   -81.2689     126.596   -81.2689     
1 1 1 1   11 9  o 8  4.20231      0.541361    1030.98   32.1623      281.959   -147.838     609.149   -147.838     
1 1 1 1   11 10 f 0  4.31168      0.440426    148.051   27.4329      90.4201   27.4329      21.8202   -152.567     
1 1 1 1   11 11 o 3  0.794037     0.305551    357.147   -165.948     314.165   14.0522      318.228   14.0522      
1 1 1 1   11 12 o 9  0.474528     0.372825    449.295   -141.176     331.82    38.8239      369.092   38.8239      
1 1 1 1   11 13 o 6  3.85267      0.740377    395.331   -138.173     279.44    -138.173     40.7118   41.827       
1 1 1 1   11 14 f 0  1.98371      0.429733    174.426   -135.199     32.9834   44.8007      96.5047   44.8007      
1 1 1 1   11 15 f 0  0.31693      0.26974     348.015   85.8485      228.452   -94.1515     270.618   -94.1515     
1 1 1 1   11 16 o 8  6.45122      0.665737    726.342   -158.136     678.281   -158.136     30.2575   -158.136     
1 1 1 1   11 17 f 0  0.437974     0.277386    223.247   -112.24      144.956   67.7597      162.016   67.7597      
1 1 1 1   11 18 o 18 -0.0739108   0.23315     222.11    -95.6141     162.148   84.3859      167.614   84.3859      
1 1 1 1   11 19 o 9  0.540842     0.300857    182.641   48.0789      19.379    48.0789      58.7613   -131.921     
1 1 1 1   13 0  o 16 6.37341      0.526624    783.742   14.0754      279.741   14.0754      215.618   -165.925     
1 1 1 1   13 1  o 9  1.82253      0.448438    46.655    19.3801      19.2724   -160.62      30.7938   -160.62      
1 1 1 1   13 2  o 15 6.19869      0.51934     48.8993   151.209      59.6374   151.209      7.65637   151.209      
1 1 1 1   13 3  o 2  4.24847      0.458621    643.034   107.93       149.646   107.93       216.309   -72.07       
1 1 1 1   13 4  o 1  1.90963      0.446999    347.552   46.9923      81.8251   -133.008     198.036   -133.008     
1 1 1 1   13 5  o 10 0.521032     0.31628     616.584   103.935      451.321   -76.0651     503.994   -76.0651     
1 1 1 1   13 6  o 19 2.40872      0.381555    420.041   -36.5431     147.209   143.457      263.098   143.457      
1 1 1 1   13 7  o 18 1.98416      0.503083    77.6414   -39.7021     36.4031   140.298      53.2814   140.298      
1 1 1 1   13 8  f 0  1.3742       0.327513    475.198   27.4466      135.386   -152.553     283.391   -152.553     
1 1 1 1   13 9  o 16 6.48882      0.698199    421.937   -173.863     618.606   -173.863     116.481   -173.863     
1 1 1 1   13 10 o 19 2.60952      0.367538    525.304   160.51       139.025   160.51       171.535   -19.4896     
1 1 1 1   13 11 o 14 1.0201       0.481771    414.842   -108.121     162.989   71.8795      270.388   71.8795      
1 1 1 1   13 12 o 18 4.7531       0.562709    414.478   135.701      537.817   135.701      85.5508   135.701      
1 1 1 1   13 13 o 8  2.24426      0.486823    460.518   -134.075     236.369   -134.075     75.8751   45.925       
1 1 1 1   13 14 o 12 3.18913      0.477703    486.004   48.5041      413.41    48.5041      11.3984   48.5041      
1 1 1 1   13 15 o 18 0.364809     0.339213    288.131   7.28438      130.428   -172.716     178.073   -172.716     
1 1 1 1   13 16 o 4  1.5087       0.522083    288.089   -85.7148     260.05    -85.7148     20.8381   -85.7148     
1 1 1 1   15 0  o 4  0.555934     0.374182    385.891   44.5042      217.307   -135.496     285.628   -135.496     
1 1 1 1   15 1  o 2  11.8327      0.659978    1090.51   -39.7106     765.735   -39.7106     117.138   140.289      
1 1 1 1   15 2  o 3  0.775373     0.27648     39.3179   -93.946      14.4932   86.054       25.2581   86.054       
1 1 1 1   15 3  o 14 4.78273      0.53349     363.498   143.824      551.117   143.824      109.415   143.824      
1 1 1 1   15 4  f 0  2.02377      0.340402    486.051   94.3965      126.489   94.3965      157.832   -85.6035     
1 1 1 1   15 5  o 4  2.40493      0.443259    486.223   5.82116      188.044   5.82116      125.078   -174.179     
1 1 1 1   15 6  o 11 2.26605      0.370563    482.496   -76.6267     188.132   -76.6267     119.928   103.373      
1 1 1 1   15 7  o 14 2.39278      0.380906    170.011   128.415      187.74    128.415      20.2404   128.415      
1 1 1 1   15 8  o 3  0.811666     0.291207    294.062   -138.676     23.4641   41.3238      135.257   41.3238      
1 1 1 1   15 9  o 4  0.39614      0.391444    306.965   -154.108     110.466   25.8917      180.143   25.8917      
1 1 1 1   15 10 o 1  2.48882      0.435085    727.526   -160.141     207.442   -160.141     185.144   19.8587      
1 1 1 1   15 11 o 16 1.77761      0.424254    456.312   21.4876      219.184   21.4876      68.8248   -158.512     
1 1 1 1   15 12 f 0  0.283878     0.390104    85.6429   -42.6904     51.4826   137.31       58.4487   137.31       
1 1 1 1   15 13 o 2  1.24265      0.483477    394.748   158.189      152.347   158.189      73.232    -21.8115     
1 1 1 1   17 0  o 8  0.378982     0.289071    163.308   -170.492     37.2891   9.50817      82.4881   9.50817      
1 1 1 1   17 1  o 17 0.228785     0.298054    51.4901   -165.683     16.3572   14.317       28.2927   14.317       
1 1 1 1   17 2  o 1  0.767426     0.321309    392.794   -125.608     19.8863   -125.608     143.149   54.3921      
1 1 1 1   17 3  o 8  0.97643      0.31101     202.65    -164.546     115.825   -164.546     20.7315   15.4536      
1 1 1 1   17 4  o 19 0.476971     0.309467    253.631   -85.5791     11.8151   94.4209      103.596   94.4209      
1 1 1 1   17 5  o 13 0.00412825   0.310272    36.0887   27.3933      13.2569   -152.607     20.3589   -152.607     
1 1 1 1   17 6  o 15 0.189842     0.280272    49.8916   174.499      14.7864   -5.50139     26.1151   -5.50139     
1 1 1 1   17 7  o 18 0.219417     0.325528    279.966   50.721       104.57    -129.279     158.911   -129.279     
1 1 1 2   0  1  o 16 -0.00190291  0.000971931 416.211   0            ?         ?            ?         ?            
1 1 1 2   0  2  o 10 27.0599      4.39192     1844.22   180          834.925   180          449.261   2.00569e-14  
1 1 1 2   0  3  o 16 387.794      12.2856     3822.24   180          7304.73   180          1818.11   180          
1 1 1 2   0  4  o 8  226.716      6.92409     3135.9    0            5343.77   0            1159.96   0            
1 1 1 2   0  5  o 12 129.504      4.92978     2895.29   180          3458.39   180          356.596   180          
1 1 1 2   0  6  o 14 1.99596      0.820739    392.807   180          ?         ?            ?         ?            
1 1 1 2   0  7  o 2  11.8872      0.718362    543.044   180          17.969    1.81045e-13  249.786   6.51195e-15  
1 1 1 2   0  8  f 0  38.0528      1.47505     994.459   0            1685.23   0            412.558   0            
1 1 1 2   0  9  o 15 2.63933      0.3646      1128.96   180          ?         ?            ?         ?            
1 1 1 2   0  10 o 15 17.3849      1.00508     978.833   0            1110.78   0            141.393   0            
1 1 1 2   0  11 o 5  44.036       2.24864     1744.19   0            2173.56   0            359.954   0            
1 1 1 2   0  12 o 15 0.514463     0.323953    159.263   180          ?         ?            ?         ?            
1 1 1 2   0  13 o 1  17.3168      1.09599     1491.39   180          1110.05   180          43.0621   1.87892e-13  
1 1 1 2   0  14 o 13 0.619267     0.311781    83.2583   180          59.5188   9.11392e-16  63.3842   4.27906e-16  
1 1 1 2   0  15 o 9  0.653849     0.288588    83.138    180          ?         ?            ?         ?            
1 1 1 2   0  16 o 7  1.18204      0.355498    363.926   180          247.335   2.05391e-15  283.535   8.95842e-16  
1 1 1 2   0  17 o 4  0.0612322    0.310221    421.088   0            ?         ?            ?         ?            
1 1 1 2   0  18 o 7  3.91672      0.728682    150.788   0            130.102   180          133.382   180          
1 1 1 2   0  19 o 15 5.31306      0.816705    917.597   180          279.32    180          274.433   1.41584e-14  
1 1 1 2   0  20 o 5  1.54856      0.525997    507.399   180          83.6288   3.18854e-14  273.642   4.87231e-15  
1 1 1 2   0  21 o 14 11.0103      0.852791    481.787   180          1249.21   180          405.304   180          
1 1 1 2   0  22 o 19 0.604709     0.696193    415.255   180          180.931   6.68289e-15  267.092   2.26353e-15  
1 1 1 2   0  23 o 1  16.1281      2.07433     708.907   180          1600.7    180          519.596   180          
1 1 1 2   0  24 o 9  0.997509     0.574487    222.779   180          78.0161   8.15981e-15  123.379   2.57984e-15  
1 1 1 2   2  0  o 5  25.8042      1.0228      1529.86   -168.502     612.517   -168.502     423.613   11.4984      
1 1 1 2   2  1  o 17 24.0576      0.88617     1894.45   -0.980433    332.307   -0.980433    741.149   179.02       
1 1 1 2   2  2  o 12 36.5807      1.16567     1232.14   113.019      1386.64   113.019      99.5799   113.019      
1 1 1 2   2  3  o 6  163.565      4.47068     2145.4    -150.603     4604.46   -150.603     1268.23   -150.603     
1 1 1 2   2  4  o 4  113.794      4.03889     2322.79   -26.5238     3124.89   -26.5238     456.939   -26.5238     
1 1 1 2   2  5  o 2  3.50385      0.271399    1097.32   36.1142      ?         ?            ?         ?            
1 1 1 2   2  6  o 16 139.276      3.97846     2125.45   -97.4453     3704.46   -97.4453     897.139   -97.4453     
1 1 1 2   2  7  o 18 343.419      8.95309     3790.95   -56.5963     6622.03   -56.5963     1654.39   -56.5963     
1 1 1 2   2  8  o 5  178.574      4.87985     3008.65   -127.79      4405.42   -127.79      911.014   -127.79      
1 1 1 2   2  9  o 3  62.6866      2.26835     1892.19   -154.742     2501.72   -154.742     446.189   -154.742     
1 1 1 2   2  10 o 5  23.7667      1.35055     903.305   158.125      1300.08   158.125      269.694   158.125      
1 1 1 2   2  11 o 17 11.3642      0.571259    809.675   -151.572     771.098   -151.572     50.502    -151.572     
1 1 1 2   2  12 o 10 15.3773      0.701386    327.562   178.572      758.445   178.572      246.561   178.572      
1 1 1 2   2  13 o 19 43.4536      1.33473     1402.91   98.763       2348.97   98.763       612.453   98.763       
1 1 1 2   2  14 o 13 35.5053      1.37022     1676.18   145.086      1554.45   145.086      95.4002   145.086      
1 1 1 2   2  15 o 2  2.33656      0.400321    20.9959   -52.5615     13.2674   127.438      15.5333   127.438      
1 1 1 2   2  16 o 8  8.26453      0.612362    743.004   -154.965     322.764   -154.965     168.153   25.0351      
1 1 1 2   2  17 o 17 2.51106      0.314517    357.54    100.482      186.256   -79.5179     255.335   -79.5179     
1 1 1 2   2  18 o 2  4.49453      0.559723    295.365   6.29914      50.0848   6.29914      108.591   -173.701     
1 1 1 2   2  19 o 9  9.67         0.931366    889.307   -28.499      722.582   -28.499      40.5215   151.501      
1 1 1 2   2  20 o 19 11.9117      0.662679    736.633   -152.016     981.087   -152.016     153.132   -152.016     
1 1 1 2   2  21 f 0  10.6275      0.9121      879.804   -13.504      901.438   -13.504      53.1625   -13.504      
1 1 1 2   2  22 o 6  2.08355      0.435081    485.164   -60.1507     ?         ?            ?         ?            
1 1 1 2   2  23 o 4  1.65898      0.433804    387.546   37.4139      100.75    37.4139      102.217   -142.586     
1 1 1 2   2  24 o 18 2.87795      0.452562    158.454   152.607      515.089   152.607      198.073   152.607      
1 1 1 2   4  0  o 11 21.5708      0.833292    1097.15   128.265      326.155   128.265      350.587   -51.7353     
1 1 1 2   4  1  o 2  14.3443      0.743156    1153.05   174.901      ?         ?            ?         ?            
1 1 1 2   4  2  o 1  15.5303      1.06427     1963.97   32.8347      297.415   -147.165     1056.24   -147.165     
1 1 1 2   4  3  o 16 14.8227      0.833547    474.074   -141.207     52.4247   38.7932      241.971   38.7932      
1 1 1 2   4  4  o 19 7.50989      0.45837     1256.57   20.4136      662.456   -159.586     892.347   -159.586     
1 1 1 2   4  5  o 6  24.9572      1.11166     1150.07   -81.5751     78.9025   98.4249      543.285   98.4249      
1 1 1 2   4  6  o 7  104.264      3.41782     2916.15   -89.4331     2860.12   -89.4331     171.929   -89.4331     
1 1 1 2   4  7  o 16 31.1623      1.00573     1639.71   -65.8881     1087.32   -65.8881     156.808   114.112      
1 1 1 2   4  8  o 14 17.4315      0.916676    1290.28   147.831      649.622   147.831      222.479   -32.1685     
1 1 1 2   4  9  o 4  4.00944      0.33211     443.802   -149.201     307.247   30.799       340.015   30.799       
1 1 1 2   4  10 o 3  46.9206      1.59268     1753.2    74.9982      2049.18   74.9982      300.313   74.9982      
1 1 1 2   4  11 o 10 25.8109      0.876893    1742.54   50.5153      1215.59   50.5153      98.0718   -129.485     
1 1 1 2   4  12 o 7  28.3209      1.14941     2052.31   -103.873     1064.79   -103.873     289.853   76.1271      
1 1 1 2   4  13 o 4  15.0925      0.695311    1716.55   129.071      472.402   129.071      459.076   -50.9292     
1 1 1 2   4  14 o 13 34.5451      1.55353     1839.33   161.978      1346.04   161.978      98.9275   -18.022      
1 1 1 2   4  15 o 13 22.8839      1.17122     1428.65   34.8387      1127.26   34.8387      63.4318   -145.161     
1 1 1 2   4  16 o 1  14.8447      0.741279    363.593   153.187      474.13    153.187      72.7022   153.187      
1 1 1 2   4  17 o 12 1.96799      0.287745    318.526   129.169      133.921   -50.8308     211.428   -50.8308     
1 1 1 2   4  18 o 17 22.124       1.16301     924.898   -83.0937     1409.57   -83.0937     287.538   -83.0937     
1 1 1 2   4  19 o 18 8.63375      0.541376    590.883   66.858       721.524   66.858       91.7088   66.858       
1 1 1 2   4  20 o 18 6.88299      0.562501    525.885   76.9964      715.331   76.9964      116.817   76.9964      
1 1 1 2   4  21 f 0  11.2119      0.794975    1143.31   -150.836     730.838   -150.836     133.234   29.1637      
1 1 1 2   4  22 o 6  11.1067      0.766844    839.864   23.6721      1085      23.6721      204.495   23.6721      
1 1 1 2   4  23 o 8  1.73666      0.42444     465.202   -31.743      60.3689   -31.743      149.855   148.257      
1 1 1 2   6  0  o 9  34.5382      1.813       1444.06   -142.114     1272.07   -142.114     13.6133   -142.114     
1 1 1 2   6  1  o 5  19.836       0.862985    1605.98   49.5077      414.945   49.5077      483.945   -130.492     
1 1 1 2   6  2  o 15 3.55871      0.323859    414.719   -30.1268     ?         ?            ?         ?            
1 1 1 2   6  3  o 4  60.8981      2.15771     2146.35   -102.237     2169.49   -102.237     166.479   -102.237     
1 1 1 2   6  4  o 2  29.6721      1.25657     1903.53   10.9893      970.19    10.9893      326.193   -169.011     
1 1 1 2   6  5  o 9  17.1887      0.854791    771.842   52.7262      957.261   52.7262      151.033   52.7262      
1 1 1 2   6  6  o 11 2.35255      0.309749    836.38    -13.0555     631.692   166.945      668.808   166.945      
1 1 1 2   6  7  o 16 70.9666      2.42544     2225.93   -150.678     2669.95   -150.678     404.262   -150.678     
1 1 1 2   6  8  o 14 10.436       0.644243    832.25    -144.491     277.711   -144.491     204.36    35.5087      
1 1 1 2   6  9  o 9  14.3862      0.862411    536.607   -93.7225     1077.49   -93.7225     320.986   -93.7225     
1 1 1 2   6  10 o 12 11.7808      0.58008     1117.93   93.9417      180.224   93.9417      358.313   -86.0583     
1 1 1 2   6  11 o 11 61.6754      2.29879     2433.77   -50.6542     1903.07   -50.6542     26.9104   129.346      
1 1 1 2   6  12 f 0  5.51163      0.555717    406.798   -124.462     175.407   55.5381      254.931   55.5381      
1 1 1 2   6  13 o 13 51.1383      2.08426     2445.51   -14.2776     1700.56   -14.2776     194.229   165.722      
1 1 1 2   6  14 o 5  2.87002      0.326586    415.36    -42.6367     ?         ?            ?         ?            
1 1 1 2   6  15 o 14 16.2248      0.877843    1282.83   170.429      742.695   170.429      210.161   -9.57147     
1 1 1 2   6  16 f 0  7.91985      0.498302    787.468   -111.507     506.099   -111.507     103.767   68.4929      
1 1 1 2   6  17 o 5  4.81489      0.513859    547.58    -156.235     141.861   -156.235     176.116   23.7646      
1 1 1 2   6  18 o 11 15.2558      1.03434     875.022   -24.62       1114.41   -24.62       158.606   -24.62       
1 1 1 2   6  19 o 4  28.901       1.21547     1245.29   -106.102     1731.15   -106.102     295.052   -106.102     
1 1 1 2   6  20 o 15 4.2815       0.48729     227.191   -151.761     536.467   -151.761     168.597   -151.761     
1 1 1 2   6  21 o 10 0.963269     0.324002    485.187   11.3374      19.3236   -168.663     206.346   -168.663     
1 1 1 2   6  22 o 16 0.947542     0.359585    263.524   59.3178      2.09942   59.3178      101.583   -120.682     
1 1 1 2   6  23 o 13 0.779296     0.717696    217.431   90.3233      ?         ?            ?         ?            
1 1 1 2   8  0  f 0  0.454835     0.12773     838.222   148.338      612.857   -31.6619     656.02    -31.6619     
1 1 1 2   8  1  o 15 18.9165      0.987911    1636.38   29.2009      839.936   29.2009      261.789   -150.799     
1 1 1 2   8  2  o 1  4.13579      0.425425    949.924   151.521      236.18    -28.4786     512.714   -28.4786     
1 1 1 2   8  3  o 15 2.5953       0.321686    233.816   103.024      84.6922   -76.9759     139.006   -76.9759     
1 1 1 2   8  4  o 12 35.062       1.88029     2060.6    -54.9422     1306.27   -54.9422     192.788   125.058      
1 1 1 2   8  5  f 0  97.4666      2.95096     2386.99   101.52       3425.42   101.52       741.252   101.52       
1 1 1 2   8  6  o 19 5.76868      0.426623    1102.47   145.027      111.544   -34.9731     500.483   -34.9731     
1 1 1 2   8  7  o 13 11.9848      0.689738    217.977   34.6886      414.367   34.6886      119.794   34.6886      
1 1 1 2   8  8  o 5  4.12625      0.480911    928.982   -31.5733     290.63    148.427      518.099   148.427      
1 1 1 2   8  9  o 14 8.69449      0.560661    735.25    23.7556      113.672   23.7556      241.827   -156.244     
1 1 1 2   8  10 o 19 7.57094      0.774011    1339.5    -40.9993     333.416   139.001      724.529   139.001      
1 1 1 2   8  11 o 7  6.33679      0.553574    485.515   -112.292     137.541   -112.292     140.28    67.7078      
1 1 1 2   8  12 o 7  31.9583      1.39699     1027.87   -31.4679     1703.58   -31.4679     394.934   -31.4679     
1 1 1 2   8  13 o 18 9.56462      0.682709    765.394   18.2083      594.73    18.2083      49.2553   -161.792     
1 1 1 2   8  14 o 17 10.2695      0.792148    730.261   46.4588      699.6     46.4588      18.488    46.4588      
1 1 1 2   8  15 o 19 31.6738      1.41871     1237.45   -53.156      1817.8    -53.156      350.438   -53.156      
1 1 1 2   8  16 o 2  0.626624     0.401747    275.846   78.6063      ?         ?            ?         ?            
1 1 1 2   8  17 o 2  2.09793      0.477592    340.901   106.608      127.734   -73.3916     220.135   -73.3916     
1 1 1 2   8  18 o 19 14.9619      0.830141    688.144   -141.468     1383.09   -141.468     379.642   -141.468     
1 1 1 2   8  19 o 19 0.76166      0.366468    226.404   28.5689      121.814   -151.431     157.452   -151.431     
1 1 1 2   8  20 o 9  2.99732      0.386281    350.147   66.9524      394.288   66.9524      57.4979   66.9524      
1 1 1 2   8  21 o 2  3.62945      0.636802    202.587   72.9771      634.355   72.9771      239.063   72.9771      
1 1 1 2   10 0  o 19 6.97392      0.493147    627.007   -157.347     324.964   -157.347     89.4654   22.6526      
1 1 1 2   10 1  o 8  5.92724      0.49737     853.966   -137.169     166.705   -137.169     260.01    42.8312      
1 1 1 2   10 2  o 13 24.459       1.41507     933.996   158.419      1544.91   158.419      396.176   158.419      
1 1 1 2   10 3  f 0  67.2257      2.23203     2641.89   -61.8826     2279.95   -61.8826     71.3431   -61.8826     
1 1 1 2   10 4  o 11 9.7414       0.602195    1333.13   48.5321      310.71    48.5321      387.782   -131.468     
1 1 1 2   10 5  o 6  44.4358      1.54775     2799.56   178.656      1253.78   178.656      526.884   -1.34398     
1 1 1 2   10 6  o 13 16.9543      0.86962     1583.31   -120.688     572.743   -120.688     377.011   59.3121      
1 1 1 2   10 7  o 10 11.4076      0.642028    1141.9    6.15325      559.885   6.15325      208.636   -173.847     
1 1 1 2   10 8  o 9  3.68386      0.533671    129.633   -179.472     15.8296   0.528152     64.6679   0.528152     
1 1 1 2   10 9  o 1  14.6274      0.685841    593.168   62.9027      870.872   62.9027      170.367   62.9027      
1 1 1 2   10 10 o 13 24.4006      1.58902     721.145   -22.2441     1510.67   -22.2441     428.852   -22.2441     
1 1 1 2   10 11 o 4  1.09438      0.420397    652.275   -112.553     418.345   67.4467      505.342   67.4467      
1 1 1 2   10 12 o 12 1.80013      0.317193    459.139   -0.132832    ?         ?            ?         ?            
1 1 1 2   10 13 o 16 2.21658      0.42204     481.481   37.9714      40.9952   -142.029     237.743   -142.029     
1 1 1 2   10 14 o 13 1.15206      0.484092    328.296   -38.7966     199.192   141.203      248.756   141.203      
1 1 1 2   10 15 o 7  4.61736      0.47251     303.082   -128.342     459.415   -128.342     90.6697   -128.342     
1 1 1 2   10 16 o 4  0.191824     0.255548    395.525   16.3921      ?         ?            ?         ?            
1 1 1 2   10 17 o 12 2.0746       0.3918      236.655   5.35263      233.992   5.35263      15.3449   5.35263      
1 1 1 2   10 18 o 17 1.91004      0.397293    435.763   165.727      248.484   165.727      51.1815   -14.2726     
1 1 1 2   10 19 o 2  0.714011     0.339218    100.913   -104.899     12.103    -104.899     33.2881   75.1012      
1 1 1 2   10 20 f 0  0.989219     0.314697    397.924   164.893      124.808   164.893      86.8583   -15.107      
1 1 1 2   12 0  o 11 0.985238     0.295036    436.81    -1.10252     292.635   178.897      341.737   178.897      
1 1 1 2   12 1  o 4  5.02782      0.406005    933.19    102.353      57.2569   -77.6467     446.579   -77.6467     
1 1 1 2   12 2  o 17 1.24046      0.254928    785.367   -38.5264     ?         ?            ?         ?            
1 1 1 2   12 3  o 15 4.5677       0.451145    756.635   -62.051      11.8882   -62.051      335.127   117.949      
1 1 1 2   12 4  o 7  6.11519      0.431103    1310.28   -59.7898     136.776   120.21       661.305   120.21       
1 1 1 2   12 5  o 13 4.01519      0.475776    555.575   -26.431      56.7093   -26.431      223.756   153.569      
1 1 1 2   12 6  o 6  19.2967      1.54546     1010.41   -15.5017     1258.4    -15.5017     170.366   -15.5017     
1 1 1 2   12 7  o 14 9.41381      0.682095    380.811   128.313      485.101   128.313      69.9167   128.313      
1 1 1 2   12 8  o 14 5.18551      0.438874    646.116   -79.7958     22.1997   -79.7958     280.901   100.204      
1 1 1 2   12 9  o 7  -0.0110149   0.234328    346.986   145.34       ?         ?            ?         ?            
1 1 1 2   12 10 o 1  2.31672      0.502682    611.979   59.0671      48.9727   -120.933     301.323   -120.933     
1 1 1 2   12 11 o 9  0.444798     0.307297    263.283   -167.702     ?         ?            ?         ?            
1 1 1 2   12 12 o 18 0.475221     0.475737    119.271   -96.6571     94.4357   83.3429      101.945   83.3429      
1 1 1 2   12 13 o 2  1.53688      0.464095    343.247   137.03       1.49549   -42.9701     156.771   -42.9701     
1 1 1 2   12 14 f 0  1.62755      0.408515    349.054   -59.1166     121.946   -59.1166     91.7536   120.883      
1 1 1 2   12 15 o 1  0.354104     0.352091    291.127   149.225      127.763   -30.775      184.099   -30.775      
1 1 1 2   12 16 o 14 0.870863     0.433167    306.967   -5.28094     39.8537   174.719      141.405   174.719      
1 1 1 2   12 17 o 19 1.47833      0.384735    195.722   -113.532     235.804   -113.532     42.447    -113.532     
1 1 1 2   12 18 o 2  0.504559     0.30551     86.5281   97.8139      2.36646   97.8139      31.935    -82.1861     
1 1 1 2   14 0  o 3  1.37312      0.307748    310.798   1.4038       97.7669   -178.596     189.378   -178.596     
1 1 1 2   14 1  o 14 0.0770845    0.250987    331.932   124.948      ?         ?            ?         ?            
1 1 1 2   14 2  o 2  3.68962      0.556384    605.33    -141.759     110.651   -141.759     218.64    38.2414      
1 1 1 2   14 3  o 1  2.62597      0.387286    499.841   -82.7663     91.2579   -82.7663     180.981   97.2337      
1 1 1 2   14 4  o 16 1.82571      0.372654    235.984   83.7374      35.9402   -96.2626     125.25    -96.2626     
1 1 1 2   14 5  f 0  3.81583      0.502339    554.081   -139.971     300.306   -139.971     102.675   40.0293      
1 1 1 2   14 6  o 6  2.08201      0.306832    408.495   38.8351      1.23003   38.8351      186.504   -141.165     
1 1 1 2   14 7  o 18 1.8716       0.312999    244.997   130.091      79.8447   130.091      72.4967   -49.9095     
1 1 1 2   14 8  o 8  2.53506      0.498263    470.969   82.5684      144.501   82.5685      142.864   -97.4315     
1 1 1 2   14 9  o 17 1.1913       0.271877    499.327   24.4204      131.525   -155.58      290.135   -155.58      
1 1 1 2   14 10 o 12 -0.136134    0.137218    463.598   -147.351     ?         ?            ?         ?            
1 1 1 2   14 11 o 8  2.15044      0.481033    231.131   177.929      266.599   177.929      36.8554   177.929      
1 1 1 2   14 12 o 7  4.69738      0.573285    840.844   -101.67      427.957   -101.67      123.477   78.3303      
1 1 1 2   14 13 o 14 0.784196     0.433759    400.005   -3.30569     56.9257   176.694      185.435   176.694      
1 1 1 2   14 14 o 9  0.712518     0.42291     552.687   117.801      78.3191   -62.1988     250.657   -62.1988     
1 1 1 2   14 15 o 14 0.88081      0.439776    321.792   169.777      99.1519   169.777      73.4733   -10.2234     
1 1 1 2   16 0  o 16 0.672133     0.294643    257.699   178.158      61.2276   -1.84179     140.033   -1.84179     
1 1 1 2   16 1  o 18 0.254603     0.280122    288.502   156.404      155.095   -23.5963     199.742   -23.5963     
1 1 1 2   16 2  o 19 0.0979347    0.294472    223.973   96.3565      159.088   -83.6435     173.789   -83.6435     
1 1 1 2   16 3  f 0  0.150999     0.325349    308.781   12.3025      178.387   -167.698     217.78    -167.698     
1 1 1 2   16 4  o 8  -0.234235    0.168118    283.351   157.645      ?         ?            ?         ?            
1 1 1 2   16 5  o 15 0.686217     0.335904    500.538   173.042      113.296   -6.95752     259.151   -6.95752     
1 1 1 2   16 6  o 2  0.928576     0.332818    339.55    1.88444      38.4715   1.88444      116.157   -178.116     
1 1 1 2   16 7  o 3  0.160968     0.275133    147.299   -147.965     109.212   32.0353      112.664   32.0353      
1 1 1 2   16 8  f 0  0.597577     0.329223    71.8983   -54.9767     6.09296   -54.9767     25.0036   125.023      
1 1 1 2   16 9  o 1  0.856343     0.343456    126.333   9.93303      90.3737   9.93303      3.24394   -170.067     
1 1 1 2   16 10 o 11 1.12329      0.402117    199.554   120.662      189.365   120.662      19.9031   120.662      
1 1 1 3   1  0  o 9  0.27031      0.168315    771.541   -135.147     696.466   44.8534      705.902   44.8534      
1 1 1 3   1  1  o 19 59.6114      6.03141     2319.8    -88.5505     1156.96   -88.5505     506.991   91.4495      
1 1 1 3   1  2  o 12 90.93        2.31546     1123.5    -100.654     3346.56   -100.654     1138.49   -100.654     
1 1 1 3   1  3  o 2  41.0264      1.11036     951.976   -77.1973     1515.67   -77.1973     298.96    -77.1973     
1 1 1 3   1  4  o 5  98.9821      2.47394     2528.38   160.78       2604.7    160.78       87.3163   160.78       
1 1 1 3   1  5  o 13 123.109      3.62937     2396.31   -153.294     3431.78   -153.294     588.89    -153.294     
1 1 1 3   1  6  o 6  239.893      7.17445     3924.11   145.427      4614.66   145.427      521.889   145.427      
1 1 1 3   1  7  o 18 235.227      6.67269     3638.27   138.13       5081.66   138.13       938.046   138.13       
1 1 1 3   1  8  o 13 30.0187      1.20545     1276.14   3.52131      1138.77   3.52131      19.4162   3.52131      
1 1 1 3   1  9  o 3  43.683       1.71521     1780.91   -54.3026     1606.59   -54.3026     44.4822   -54.3026     
1 1 1 3   1  10 o 16 24.595       1.0139      1477.44   -126.041     1222.48   -126.041     12.4405   53.959       
1 1 1 3   1  11 o 14 7.41681      0.519953    916.679   -118.389     89.1069   61.6111      425.321   61.6111      
1 1 1 3   1  12 o 10 14.1446      0.714009    600.938   9.58048      933.702   9.58048      222.671   9.58048      
1 1 1 3   1  13 o 6  19.392       1.04285     905.206   158.167      1237.55   158.167      256.051   158.167      
1 1 1 3   1  14 o 16 1.65229      0.260565    702.371   -66.89       434.613   113.11       501.938   113.11       
1 1 1 3   1  15 o 9  14.3864      0.824671    576.895   131.032      896.09    131.032      204.922   131.032      
1 1 1 3   1  16 o 3  22.2112      1.06553     1074.03   -172.549     960.25    -172.549     5.78701   -172.549     
1 1 1 3   1  17 o 14 41.709       1.49746     1317.99   -159.799     2064.68   -159.799     434.927   -159.799     
1 1 1 3   1  18 o 14 102.966      3.50221     2066.59   23.9364      3559.68   23.9364      844.192   23.9364      
1 1 1 3   1  19 o 9  3.16286      0.393856    226.237   14.2876      18.0342   -165.712     111.174   -165.712     
1 1 1 3   1  20 o 12 8.76899      0.737997    377.882   -176.374     938.999   -176.374     296.573   -176.374     
1 1 1 3   1  21 o 5  2.51276      0.420986    827.007   -158.728     78.9731   21.2717      414.361   21.2717      
1 1 1 3   1  22 o 16 6.63143      0.735344    352.055   4.71244      913.176   4.71244      308.294   4.71244      
1 1 1 3   1  23 f 0  5.90783      0.628208    695.987   -48.9175     695.077   -48.9175     72.9645   -48.9175     
1 1 1 3   1  24 o 19 1.22551      0.516008    222.019   -141.688     29.809    38.3116      98.4472   38.3116      
1 1 1 3   3  0  o 16 299.679      7.27389     4204.09   -17.4214     4843.9    -17.4214     396.5     -17.4214     
1 1 1 3   3  1  o 6  84.2372      2.46672     2735.82   11.2234      1780.66   11.2234      425.664   -168.777     
1 1 1 3   3  2  o 19 28.6389      0.955622    1185.7    -167.946     656.98    -167.946     238.578   12.0535      
1 1 1 3   3  3  o 4  96.5514      3.85415     2961.59   49.9134      1862.28   49.9134      466.951   -130.087     
1 1 1 3   3  4  o 2  22.849       0.901954    1000.81   44.8083      81.8698   -135.192     503.449   -135.192     
1 1 1 3   3  5  o 8  94.0892      3.02028     1782.99   54.793       2722.22   54.793       558.603   54.793       
1 1 1 3   3  6  o 18 236.391      5.58689     4415.54   57.3743      4365.77   57.3743      244.923   57.3743      
1 1 1 3   3  7  f 0  137.173      3.30975     3216.49   60.5409      3002.33   60.5409      114.946   60.5409      
1 1 1 3   3  8  o 9  165.39       4.69803     3611.37   -42.3389     3871.63   -42.3389     395.597   -42.3389     
1 1 1 3   3  9  f 0  17.6428      0.872826    1384.93   0.259905     616.631   0.259905     277.603   -179.74      
1 1 1 3   3  10 o 6  4.92213      0.336219    534.621   30.8387      ?         ?            ?         ?            
1 1 1 3   3  11 o 3  90.0329      3.33585     2601.1    -43.6012     3008.26   -43.6012     439.404   -43.6012     
1 1 1 3   3  12 o 6  5.45122      0.434855    887.052   -64.0665     66.1087   -64.0665     323.537   115.933      
1 1 1 3   3  13 o 11 13.9036      0.920517    917.315   -174.711     812.293   -174.711     37.607    -174.711     
1 1 1 3   3  14 o 4  10.1482      0.69514     1053.21   -140.282     457.799   -140.282     205.7     39.718       
1 1 1 3   3  15 o 17 19.7871      0.845941    1283.46   -115.038     803.017   -115.038     152.643   64.9622      
1 1 1 3   3  16 o 4  7.84182      0.540523    1014.9    174.635      ?         ?            ?         ?            
1 1 1 3   3  17 o 6  43.3781      1.66175     813.646   109.989      2515.13   109.989      888.072   109.989      
1 1 1 3   3  18 o 16 4.44913      0.435346    882.267   -168.131     105.638   -168.131     345.495   11.8685      
1 1 1 3   3  19 o 2  1.42084      0.33222     353.672   -166.334     ?         ?            ?         ?            
1 1 1 3   3  20 o 1  32.5807      1.78714     660.958   -98.425      1947.52   -98.425      670.462   -98.425      
1 1 1 3   3  21 o 8  1.88843      0.364755    256.705   146.324      166.421   146.324      30.8573   -33.6758     
1 1 1 3   3  22 o 8  2.68363      0.459543    302.407   12.5831      363.747   12.5831      58.1602   12.5831      
1 1 1 3   3  23 o 15 2.66311      0.450589    336.798   34.8896      484.156   34.8896      110.568   34.8896      
1 1 1 3   3  24 o 11 4.34758      0.643813    221.778   -58.1136     770.967   -58.1135     301.251   -58.1135     
1 1 1 3   5  0  f 0  2.87119      0.415447    1136.94   51.3236      788.613   -128.676     901.001   -128.676     
1 1 1 3   5  1  o 11 59.0076      2.53183     2448.18   -35.0689     1615.74   -35.0689     279.881   144.931      
1 1 1 3   5  2  o 5  1.40329      0.188108    1518.18   -95.0037     1266.62   84.9963      1303.08   84.9963      
1 1 1 3   5  3  o 5  28.9071      0.979158    1349.04   133.957      1033.2    133.957      72.8164   -46.0434     
1 1 1 3   5  4  f 0  16.6774      0.742052    1131.37   -178.22      20.9964   1.78022      499.835   1.78022      
1 1 1 3   5  5  o 11 15.0734      0.796891    1442.11   -43.6741     51.4668   -43.6741     592.695   136.326      
1 1 1 3   5  6  o 17 15.3759      0.611036    1783.49   53.8348      96.798    53.8348      711.538   -126.165     
1 1 1 3   5  7  o 17 8.25329      0.763181    472.633   179.836      52.0624   179.836      174.132   -0.163835    
1 1 1 3   5  8  o 3  27.8181      1.11226     1979.77   -3.5458      992.926   -3.5458      334.2     176.454      
1 1 1 3   5  9  o 3  13.1162      0.71989     1077.84   -115.108     796.525   -115.108     47.2473   64.8921      
1 1 1 3   5  10 o 18 8.47848      0.476663    908.386   -39.7126     325.334   -39.7126     206.043   140.287      
1 1 1 3   5  11 o 2  12.0313      0.782226    915.739   -101.023     800.467   -101.023     33.0987   -101.023     
1 1 1 3   5  12 o 19 12.4154      0.577013    1393.5    32.552       499.692   32.552       311.743   -147.448     
1 1 1 3   5  13 o 6  31.6962      1.6691      1133.95   6.86637      1826.47   6.86637      443.137   6.86637      
1 1 1 3   5  14 o 9  47.6459      1.93732     1221.59   -89.5834     2274.81   -89.5834     608.931   -89.5834     
1 1 1 3   5  15 o 9  0.498703     0.247966    437.241   -8.27496     ?         ?            ?         ?            
1 1 1 3   5  16 o 11 15.6329      0.895576    731.059   -87.0582     1005.5    -87.0582     170.754   -87.0582     
1 1 1 3   5  17 o 10 6.94825      0.483493    562.601   97.5536      397.79    97.5536      55.2861   -82.4464     
1 1 1 3   5  18 o 13 8.38834      0.580296    480.115   -168.764     789.546   -168.764     177.552   -168.764     
1 1 1 3   5  19 o 18 7.51043      0.591578    637.772   -23.9984     614.963   -23.9984     15.1036   -23.9984     
1 1 1 3   5  20 o 18 7.53252      0.72092     779.881   -133.396     624.034   -133.396     39.7402   46.6042      
1 1 1 3   5  21 o 16 3.74075      0.517348    460.182   -102.835     383.961   -102.835     0.854031  77.1648      
1 1 1 3   5  22 o 5  7.12563      0.751351    468.555   -165.485     925.519   -165.485     277.987   -165.485     
1 1 1 3   5  23 o 14 1.5514       0.341281    97.0337   -6.89398     183.825   -6.89398     55.3388   -6.89398     
1 1 1 3   7  0  o 17 32.122       1.64887     808.623   159.664      1650.78   159.664      482.066   159.664      
1 1 1 3   7  1  o 16 9.41118      0.746295    1791.42   -111.235     179.088   68.7645      849.681   68.7645      
1 1 1 3   7  2  o 19 7.74686      0.497083    884.039   126.965      220.795   126.965      264.132   -53.0345     
1 1 1 3   7  3  o 6  11.8657      0.550173    326.139   -112.465     323.263   -112.465     23.8422   -112.465     
1 1 1 3   7  4  o 5  29.8687      1.72874     1745.6    178.899      1328.72   178.898      69.8126   -1.1015      
1 1 1 3   7  5  o 5  30.2653      1.46956     2084.89   -82.5914     1162.81   -82.5914     289.291   97.4086      
1 1 1 3   7  6  o 16 12.2358      0.481532    976.966   74.3307      578.964   74.3307      114.359   -105.669     
1 1 1 3   7  7  o 14 30.621       1.32842     1388.22   16.048       1568.29   16.048       217.612   16.048       
1 1 1 3   7  8  o 14 11.7619      0.720887    746.932   -134.51      729.516   -134.51      63.6771   -134.51      
1 1 1 3   7  9  o 11 0.69679      0.186663    923.286   10.0064      ?         ?            ?         ?            
1 1 1 3   7  10 o 12 3.87441      0.350354    955.411   -156.292     68.5519   23.708       419.66    23.708       
1 1 1 3   7  11 o 3  3.73283      0.692389    395.382   51.7649      25.6643   -128.235     176.103   -128.235     
1 1 1 3   7  12 o 2  17.3482      0.698534    1490.94   -88.6681     683.563   -88.6681     296.469   91.3319      
1 1 1 3   7  13 o 4  12.7624      0.847105    862.746   -165.427     585.371   -165.427     90.0935   14.5733      
1 1 1 3   7  14 o 2  19.2981      1.0344      984.217   75.1908      1230.35   75.1908      169.37    75.1908      
1 1 1 3   7  15 o 12 3.05972      0.431958    850.972   -159.239     267.846   20.7606      519.829   20.7606      
1 1 1 3   7  16 o 17 9.42795      0.731638    793.552   58.2311      558.964   58.2311      78.5303   -121.769     
1 1 1 3   7  17 o 1  0.381021     0.306829    304.148   -18.6514     ?         ?            ?         ?            
1 1 1 3   7  18 o 8  4.68698      0.680867    365.52    -144.318     436.731   -144.318     50.6385   -144.318     
1 1 1 3   7  19 o 12 6.93904      0.552989    851.03    -16.0803     570.48    -16.0803     95.305    163.92       
1 1 1 3   7  20 o 17 5.22531      0.471643    659.268   -114.245     598.317   -114.245     25.3805   -114.245     
1 1 1 3   7  21 o 14 6.65329      0.540616    316.741   -96.9812     991.229   -96.9812     370.935   -96.9812     
1 1 1 3   7  22 o 14 4.04722      0.532567    632.474   59.3549      558.608   59.3549      41.0808   59.3549      
1 1 1 3   9  0  o 19 3.01375      0.334145    300.288   -87.3807     8.42062   92.6193      125.715   92.6193      
1 1 1 3   9  1  o 6  25.0876      1.03848     1620.36   -140.587     1309.44   -140.587     0.267987  39.4128      
1 1 1 3   9  2  o 8  9.81018      0.640787    1367.63   103.594      414.215   103.594      344.436   -76.4059     
1 1 1 3   9  3  o 16 7.47368      0.888943    415.682   73.0654      316.456   73.0654      8.89284   -106.935     
1 1 1 3   9  4  o 3  1.31067      0.188857    402.151   -121.839     ?         ?            ?         ?            
1 1 1 3   9  5  o 12 12.3147      0.605671    975.854   74.8516      728.747   74.8516      26.6374   -105.148     
1 1 1 3   9  6  o 11 5.30948      0.506416    605.338   125.709      66.0419   125.709      210.494   -54.2911     
1 1 1 3   9  7  o 17 37.4563      1.47799     2345.14   156.227      1350.66   156.227      278.603   -23.7726     
1 1 1 3   9  8  o 6  7.98939      0.779279    946.957   148.353      341.755   148.353      221.974   -31.6471     
1 1 1 3   9  9  o 11 11.4622      0.958621    941.045   31.6084      575.225   31.6084      113.461   -148.392     
1 1 1 3   9  10 o 7  7.85243      0.597586    169.747   51.1248      139.037   51.1248      4.967     -128.875     
1 1 1 3   9  11 o 14 8.77198      0.702065    607.579   38.4478      493.378   38.4478      26.1969   -141.552     
1 1 1 3   9  12 o 5  2.74049      0.43106     1073.16   -176.311     ?         ?            ?         ?            
1 1 1 3   9  13 o 6  18.6782      1.00133     1011.94   78.8333      1208.45   78.8333      145.727   78.8333      
1 1 1 3   9  14 o 8  6.12061      0.450066    671.999   158.57       439.954   158.57       83.1905   -21.4295     
1 1 1 3   9  15 o 10 3.74302      0.543744    145.739   14.8986      147.022   14.8986      7.42021   14.8986      
1 1 1 3   9  16 o 11 1.38187      0.366461    580.682   -53.8104     298.791   126.19       415.661   126.19       
1 1 1 3   9  17 o 4  1.02174      0.303909    271.687   92.5066      99.3057   -87.4934     172.841   -87.4934     
1 1 1 3   9  18 o 5  5.96922      0.451417    142.438   70.3345      664.44    70.3345      271.2     70.3345      
1 1 1 3   9  19 o 11 -0.0489592   0.252188    440.864   -103.593     324.977   76.4069      339.171   76.4069      
1 1 1 3   9  20 o 10 1.77838      0.495067    302.452   -25.7883     220.937   -25.7882     6.89244   154.212      
1 1 1 3   9  21 o 12 2.42359      0.405453    185.735   76.9516      480.719   76.9516      169.299   76.9516      
1 1 1 3   11 0  o 9  18.8755      0.784687    1504.47   -128.074     788.683   -128.074     239.33    51.9259      
1 1 1 3   11 1  o 6  3.08773      0.381253    715.335   -77.3234     297.601   102.677      450.727   102.677      
1 1 1 3   11 2  o 1  1.89622      0.313765    187.062   175.442      141.643   -4.55789     150.196   -4.55789     
1 1 1 3   11 3  o 14 42.8149      1.67984     1249.74   -3.97308     2290.22   -3.97308     610.296   -3.97308     
1 1 1 3   11 4  o 14 14.199       0.762567    850.015   139.167      823.278   139.167      43.7116   139.167      
1 1 1 3   11 5  o 11 18.0791      1.67613     784.225   92.6576      1075.14   92.6576      193.507   92.6576      
1 1 1 3   11 6  o 15 8.03019      0.522836    1202.51   -157.377     63.0009   -157.377     503.478   22.6233      
1 1 1 3   11 7  o 2  5.47308      0.532243    540.705   -52.0985     179.021   -52.0985     153.919   127.901      
1 1 1 3   11 8  o 6  6.93382      0.433854    728.896   -90.7141     147.002   -90.7141     257.039   89.2859      
1 1 1 3   11 9  o 1  18.8536      0.950443    1116.38   -139.66      935.823   -139.66      38.9388   40.3398      
1 1 1 3   11 10 o 15 3.72352      0.423115    994.163   -143.194     270.793   36.8057      585.227   36.8057      
1 1 1 3   11 11 o 8  3.95145      0.446844    800.792   60.8109      28.308    -119.189     375.42    -119.189     
1 1 1 3   11 12 f 0  1.12881      0.391221    411.853   148.888      162.262   -31.1117     267.559   -31.1117     
1 1 1 3   11 13 o 13 5.22926      0.640714    370.439   69.5408      421.035   69.5408      41.2165   69.5408      
1 1 1 3   11 14 f 0  0.433956     0.284676    360.798   148.105      ?         ?            ?         ?            
1 1 1 3   11 15 o 7  0.411231     0.35678     265.239   -130.185     189.827   49.8147      213.447   49.8147      
1 1 1 3   11 16 o 6  0.774032     0.307633    418.844   0.87341      100.684   -179.127     226.926   -179.127     
1 1 1 3   11 17 o 19 0.597784     0.285647    370.963   72.636       ?         ?            ?         ?            
1 1 1 3   11 18 o 8  0.301944     0.30439     263.724   -104.568     120.922   75.4325      162.808   75.4325      
1 1 1 3   11 19 o 6  0.380544     0.290378    53.4772   131.614      7.52903   -48.3865     23.9312   -48.3865     
1 1 1 3   13 0  o 9  6.92891      0.531945    726.781   -169.764     362.364   -169.764     148.426   10.2359      
1 1 1 3   13 1  o 11 5.90016      0.682229    803.589   -100.044     215.134   -100.044     256.787   79.9562      
1 1 1 3   13 2  f 0  9.5789       0.698012    758.003   82.2663      690.628   82.2663      1.85174   82.2663      
1 1 1 3   13 3  o 14 13.6558      0.715919    617.945   -160.039     1085.72   -160.039     263.17    -160.039     
1 1 1 3   13 4  o 10 1.97336      0.396148    290.038   -128.539     46.797    51.4608      154.479   51.4608      
1 1 1 3   13 5  o 6  3.37566      0.420796    404.377   -113.675     86.6748   -113.675     139.165   66.3251      
1 1 1 3   13 6  o 16 4.94555      0.412718    271.866   -31.217      209.43    -31.217      17.9408   148.783      
1 1 1 3   13 7  o 12 1.03339      0.39917     538.547   49.2636      312.417   -130.736     399.663   -130.736     
1 1 1 3   13 8  o 12 0.608577     0.255631    137.979   -75.7141     114.921   104.286      120.152   104.286      
1 1 1 3   13 9  o 7  5.48184      0.61356     717.026   -86.4193     371.088   -86.4193     142.447   93.5807      
1 1 1 3   13 10 o 10 0.890394     0.277263    193.439   56.0127      70.0015   -123.987     123.753   -123.987     
1 1 1 3   13 11 o 13 0.0848309    0.383032    221.31    -53.9688     187.158   126.031      194.081   126.031      
1 1 1 3   13 12 o 17 2.87068      0.473328    28.5157   137.071      43.1671   137.071      9.04224   137.071      
1 1 1 3   13 13 o 9  6.97566      0.66101     689.07    -153.67      767.8     -153.67      95.6215   -153.67      
1 1 1 3   13 14 o 13 2.04321      0.445359    463.671   -153.37      248.502   -153.37      61.1925   26.6299      
1 1 1 3   13 15 o 17 -0.222269    0.232881    538.483   -70.0728     395.667   109.927      408.182   109.927      
1 1 1 3   13 16 o 3  1.89758      0.433715    415.545   113.425      295.343   113.425      8.92774   -66.5747     
1 1 1 3   15 0  o 1  2.3127       0.466396    480.165   -170.603     107.082   -170.603     166.634   9.39714      
1 1 1 3   15 1  o 6  8.79295      0.578755    603.995   149.99       873.362   149.99       159.814   149.99       
1 1 1 3   15 2  o 10 0.200707     0.256412    260.604   17.1023      192.999   -162.898     215.829   -162.898     
1 1 1 3   15 3  o 2  7.06722      0.987811    530.387   -16.0775     777.129   -16.0775     146.339   -16.0775     
1 1 1 3   15 4  o 18 1.0188       0.344716    397.814   -64.8536     110.483   115.146      235.926   115.146      
1 1 1 3   15 5  o 18 0.703654     0.32307     178.247   -32.4224     61.8521   147.578      111.06    147.578      
1 1 1 3   15 6  o 18 0.376014     0.274744    651.432   163.408      381.352   -16.592      478.599   -16.592      
1 1 1 3   15 7  o 14 2.64402      0.376681    96.0098   105.396      172.387   105.396      44.8012   105.396      
1 1 1 3   15 8  o 10 1.7105       0.309338    328.053   -6.1866      208.835   -6.1866      32.695    173.813      
1 1 1 3   15 9  o 7  0.597272     0.478202    234.992   141.348      28.4871   -38.6524     109.454   -38.6524     
1 1 1 3   15 10 o 3  0.968504     0.311429    593.748   8.54838      68.6406   -171.452     269.449   -171.452     
1 1 1 3   15 11 o 2  1.19505      0.393278    135.73    -117.999     91.0728   -117.999     7.41541   62.0006      
1 1 1 3   15 12 o 9  0.406101     0.362274    312.013   32.9463      174.118   -147.054     205.644   -147.054     
1 1 1 3   17 0  o 2  0.180936     0.281125    296.737   111.754      125.176   -68.2455     178.532   -68.2455     
1 1 1 3   17 1  o 1  0.306115     0.294826    72.8406   -53.8596     23.9217   126.14       40.3952   126.14       
1 1 1 3   17 2  o 9  0.758554     0.292107    221.517   -73.432      36.9294   -73.432      67.7902   106.568      
1 1 1 3   17 3  o 4  0.292691     0.285548    295.39    84.065       92.593    -95.935      160.775   -95.935      
1 1 1 3   17 4  o 13 1.00692      0.33264     277.302   145.084      141.745   145.084      35.7174   -34.916      
1 1 1 3   17 5  o 1  -0.0515545   0.332984    285.591   -117.287     124.906   62.7127      170.82    62.7127      
1 1 1 3   17 6  < 19 -0.871233    0.161376    263.132   178.964      ?         ?            ?         ?            
1 1 1 4   0  0  < 18 -0.085014    0.00314014  ?         ?            ?         ?            ?         ?            
1 1 1 4   0  1  o 2  55.0269      9.1909      2318.72   180          1909.63   180          121.715   1.17105e-13  
1 1 1 4   0  2  o 10 1.81573      0.909334    867.446   180          ?         ?            ?         ?            
1 1 1 4   0  3  o 10 36.2445      1.9839      658.117   0            1322.44   0            344.331   0            
1 1 1 4   0  4  o 2  33.6969      1.43297     969.688   0            643.649   0            144.699   180          
1 1 1 4   0  5  o 12 5.84506      0.523189    318.796   180          ?         ?            ?         ?            
1 1 1 4   0  6  o 2  7.10718      0.488039    1427.98   0            645.999   180          973.795   180          
1 1 1 4   0  7  o 7  4.49087      0.46721     494.232   180          418.783   2.86144e-16  427.322   1.40213e-16  
1 1 1 4   0  8  o 14 131.983      6.16216     2802.23   180          3975.65   180          779.735   180          
1 1 1 4   0  9  o 2  24.1831      1.26237     963.835   180          1486.47   180          332.517   180          
1 1 1 4   0  10 o 13 1.37393      0.255734    1005.64   0            692.306   180          770.708   180          
1 1 1 4   0  11 o 5  73.2788      3.61852     1323.46   180          3655.96   180          1278.23   180          
1 1 1 4   0  12 o 11 27.9832      1.52717     1066.87   180          1899.43   180          516.238   180          
1 1 1 4   0  13 o 14 23.5572      1.18895     1142.85   0            1761.29   0            422.701   0            
1 1 1 4   0  14 o 15 12.2472      0.97524     233.897   180          50.7781   180          69.4216   1.2149e-14   
1 1 1 4   0  15 o 6  11.4418      0.863323    763.135   180          656.352   180          6.36607   180          
1 1 1 4   0  16 o 1  13.6414      1.03108     514.931   180          845.946   180          195.417   180          
1 1 1 4   0  17 o 17 13.3542      1.65028     911.267   180          1069.94   180          121.836   180          
1 1 1 4   0  18 o 10 181.729      6.01976     2543.37   180          5188.13   180          1442.73   180          
1 1 1 4   0  19 o 10 8.87553      0.699802    70.8191   180          236.629   180          86.3317   180          
1 1 1 4   0  20 o 8  67.2283      3.75565     458.997   0            4118.47   0            1849.13   0            
1 1 1 4   0  21 o 1  1.68045      0.630589    489.313   0            18.1219   0            212.506   180          
1 1 1 4   0  22 o 1  5.41584      0.773281    172.617   180          554.514   180          204.716   180          
1 1 1 4   0  23 o 8  1.3183       0.986987    54.172    180          ?         ?            ?         ?            
1 1 1 4   0  24 o 9  0.707605     0.519936    362.592   0            ?         ?            ?         ?            
1 1 1 4   2  0  o 16 64.9795      1.70146     1923.33   146.2        1960.64   146.2        59.3171   146.2        
1 1 1 4   2  1  o 19 19.4966      1.43127     799.172   143.404      32.3589   143.404      367.836   -36.5965     
1 1 1 4   2  2  o 9  109.254      3.04548     1874.42   -69.4892     3254.57   -69.4892     722.973   -69.4892     
1 1 1 4   2  3  o 12 131.029      3.06049     2365.35   170.507      3715.59   170.507      720.142   170.507      
1 1 1 4   2  4  o 16 73.6432      3.22233     2284.43   -145.271     2145.44   -145.271     8.96622   34.7291      
1 1 1 4   2  5  f 0  49.9441      1.66608     1438.81   14.2234      1587.81   14.2234      130.911   14.2234      
1 1 1 4   2  6  o 18 162.041      4.25369     3053.4    179.119      3718.16   179.119      495.407   179.119      
1 1 1 4   2  7  o 14 11.2849      0.626531    525.594   -136.041     ?         ?            ?         ?            
1 1 1 4   2  8  o 17 20.9194      0.747162    1312.71   127.735      437.853   127.735      343.48    -52.2646     
1 1 1 4   2  9  o 1  17.3752      0.816774    726.913   -137.892     645.559   -137.892     14.0812   -137.892     
1 1 1 4   2  10 o 4  36.8515      1.63076     1246.28   64.0365      2025.68   64.0365      489.272   64.0365      
1 1 1 4   2  11 o 18 24.4355      1.02182     1786.34   101.332      1092.51   101.332      190.425   -78.6684     
1 1 1 4   2  12 o 18 18.5472      0.860211    872.574   -156.049     1328.23   -156.049     311.73    -156.049     
1 1 1 4   2  13 f 0  18.9581      1.10239     815.707   -83.5427     1102.85   -83.5427     224.516   -83.5427     
1 1 1 4   2  14 o 10 38.0808      1.397       1836.99   59.0458      1548.74   59.0458      23.5677   59.0458      
1 1 1 4   2  15 o 13 24.3864      1.21756     1109.01   -120.701     989.445   -120.701     21.3196   -120.701     
1 1 1 4   2  16 o 17 11.2971      0.524459    526.987   -95.5098     701.85    -95.5098     116.009   -95.5098     
1 1 1 4   2  17 o 18 9.23752      0.568868    847.332   -53.4277     576.135   -53.4277     96.6395   126.572      
1 1 1 4   2  18 o 15 7.84951      0.491748    691.149   137.701      124.886   137.701      249.941   -42.299      
1 1 1 4   2  19 o 1  9.09289      0.886012    330.365   152.497      414.824   152.497      57.9474   152.497      
1 1 1 4   2  20 o 9  47.0072      1.67017     1131.48   133.407      2497.52   133.407      729.853   133.407      
1 1 1 4   2  21 o 11 5.17901      0.669865    259.725   120.13       593.519   120.13       180.222   120.13       
1 1 1 4   2  22 o 14 2.07591      0.397653    691.653   168.351      81.0768   -11.6494     326.86    -11.6494     
1 1 1 4   2  23 o 18 8.62147      0.635504    401.527   -97.9304     1165.54   -97.9304     425.312   -97.9304     
1 1 1 4   2  24 o 10 1.86094      0.425684    121.332   -30.6924     309.03    -30.6924     109.017   -30.6924     
1 1 1 4   4  0  o 11 20.3249      0.736287    433.314   -89.0771     182.299   -89.0771     111.029   90.9229      
1 1 1 4   4  1  o 3  2.07941      0.221884    534.546   24.7684      ?         ?            ?         ?            
1 1 1 4   4  2  o 16 28.5049      1.32987     628.65    -112.266     390.543   -112.266     93.8494   67.7344      
1 1 1 4   4  3  o 3  36.906       1.59792     1005.28   -123.403     1230.1    -123.403     159.837   -123.403     
1 1 1 4   4  4  f 0  30.4105      1.07215     390.757   -80.6302     432.523   -80.6302     42.5954   -80.6302     
1 1 1 4   4  5  o 10 78.9497      2.42307     2671.78   132.216      2221.49   132.216      55.3741   -47.7845     
1 1 1 4   4  6  o 8  12.0169      0.512602    652.233   -101.262     389.542   78.7384      475.5     78.7384      
1 1 1 4   4  7  f 0  23.7129      1.0307      364.19    16.8621      153.888   16.8621      78.4181   -163.138     
1 1 1 4   4  8  o 10 47.1298      2.06198     1812.04   -179.371     1893.48   -179.371     179.199   -179.371     
1 1 1 4   4  9  o 5  24.8946      1.35815     1265.36   83.6811      1234.92   83.6811      87.2488   83.6811      
1 1 1 4   4  10 o 5  6.89196      0.437243    1245.86   -51.7809     0.156464  128.219      513.113   128.219      
1 1 1 4   4  11 o 4  12.3057      0.629638    562.09    -175.683     714.669   -175.683     130.257   -175.683     
1 1 1 4   4  12 o 19 7.86322      0.426211    1148.98   168.677      196.173   168.677      362.247   -11.3227     
1 1 1 4   4  13 o 13 49.0859      1.78976     2045.98   -77.1638     2086.75   -77.1638     211.381   -77.1638     
1 1 1 4   4  14 o 6  12.3508      0.61379     1346.26   53.9498      97.5003   -126.05      617.513   -126.05      
1 1 1 4   4  15 o 19 10.9655      0.836583    468.209   -71.1977     ?         ?            ?         ?            
1 1 1 4   4  16 o 6  13.2862      0.895532    938.78    -121.597     817.87    -121.597     16.2798   58.4033      
1 1 1 4   4  17 o 13 11.3297      0.646823    811.405   -64.6207     661.066   -64.6207     37.1435   115.379      
1 1 1 4   4  18 o 1  10.9302      0.789677    591.401   109.944      923.13    109.944      194.714   109.944      
1 1 1 4   4  19 o 2  29.6625      1.4286      867.359   -123.866     2006.45   -123.866     607.441   -123.866     
1 1 1 4   4  20 o 6  13.683       0.823559    390.154   -18.0739     1417.54   -18.0739     530.547   -18.0739     
1 1 1 4   4  21 o 11 1.82624      0.469805    338.83    27.4797      79.766    27.4797      106.263   -152.52      
1 1 1 4   4  22 f 0  2.2119       0.476504    296.245   -159.903     241.43    -159.903     2.37528   -159.903     
1 1 1 4   4  23 o 19 0.792888     0.385323    226.464   137.872      94.4289   -42.128      134.24    -42.128      
1 1 1 4   6  0  o 18 19.4365      1.31324     1629.25   -31.9608     405.178   -31.9608     498.881   148.039      
1 1 1 4   6  1  o 2  45.6052      1.84207     1268.63   -165.773     1969.08   -165.773     439.027   -165.773     
1 1 1 4   6  2  o 3  18.5225      1.02536     1123.79   -34.4464     350.224   -34.4464     306.822   145.554      
1 1 1 4   6  3  o 6  37.4405      1.15877     1607.9    45.3164      1613.51   45.3164      119.581   45.3164      
1 1 1 4   6  4  o 14 47.2147      1.68927     897.046   -107.206     2353.9    -107.206     794.988   -107.206     
1 1 1 4   6  5  o 10 21.2743      0.982051    1402.54   -168.406     993.726   -168.406     97.8087   11.5938      
1 1 1 4   6  6  o 17 6.86401      0.547212    1090.94   -96.6082     113.863   -96.6082     402.768   83.3918      
1 1 1 4   6  7  o 3  5.04233      0.394841    974.916   -72.2405     65.3209   107.759      439.386   107.759      
1 1 1 4   6  8  o 9  41.1178      1.56694     2201.17   139.9        1602.78   139.9        103.81    -40.0999     
1 1 1 4   6  9  o 13 16.3144      0.739966    1379.19   -16.6364     861.746   -16.6364     127.399   163.364      
1 1 1 4   6  10 o 7  18.8906      1.03144     914.016   -125.89      1279.7    -125.89      273.522   -125.89      
1 1 1 4   6  11 o 8  47.0518      1.79506     1284.96   104.102      2161.58   104.102      563.09    104.102      
1 1 1 4   6  12 o 19 15.5452      0.859628    1357.4    -117.19      715.498   -117.19      203.127   62.8096      
1 1 1 4   6  13 o 5  46.7267      1.84499     1968.27   -160.916     1925.09   -160.916     116.566   -160.916     
1 1 1 4   6  14 o 12 46.2336      2.08103     1180.95   80.1177      2118.13   80.1177      532.45    80.1177      
1 1 1 4   6  15 o 2  50.7682      1.56474     1336.55   102.46       2545.57   102.46       666.279   102.46       
1 1 1 4   6  16 f 0  18.2624      0.874677    953.224   43.01        1244.46   43.01        190.724   43.01        
1 1 1 4   6  17 o 12 8.56569      0.641866    375.678   -22.0365     597.562   -22.0365     129.221   -22.0365     
1 1 1 4   6  18 o 6  10.9914      0.724672    814.828   116.287      860.637   116.287      58.3854   116.287      
1 1 1 4   6  19 o 3  15.333       0.693954    771.026   162.334      1337.93   162.334      316.53    162.334      
1 1 1 4   6  20 o 19 1.35746      0.33032     239.842   18.6379      89.1864   18.6379      59.5067   -161.362     
1 1 1 4   6  21 o 11 1.03734      0.330218    111.613   107.34       46.3208   107.34       21.713    -72.6602     
1 1 1 4   6  22 o 3  6.13319      0.568841    521.234   -86.0493     870.04    -86.0493     233.084   -86.0493     
1 1 1 4   8  0  o 8  6.98161      0.441976    587.801   -27.1335     301.344   -27.1335     94.231    152.867      
1 1 1 4   8  1  o 10 6.38207      0.444744    1396.27   -65.6076     131.1     114.392      646.559   114.392      
1 1 1 4   8  2  o 1  7.78003      0.660294    723.877   -93.3228     360.908   -93.3228     119.821   86.6772      
1 1 1 4   8  3  o 15 11.2964      0.604627    267.312   -139.562     534.061   -139.562     156.716   -139.562     
1 1 1 4   8  4  o 16 30.3368      1.54396     1623.14   -173.431     1498      -173.431     83.9695   -173.431     
1 1 1 4   8  5  o 10 20.2074      0.690588    1228.58   -62.5757     1283.07   -62.5757     142.514   -62.5757     
1 1 1 4   8  6  o 7  7.0964       0.546851    1006.01   -93.9663     13.1933   -93.9663     398.574   86.0337      
1 1 1 4   8  7  o 3  30.6464      1.36998     2116.67   -50.5905     1222.9    -50.5905     236.724   129.41       
1 1 1 4   8  8  o 18 10.1187      0.458868    537.313   10.1767      464.537   10.1767      16.386    10.1767      
1 1 1 4   8  9  o 5  10.4128      0.686899    1699.51   162.163      69.1897   162.163      658.077   -17.8374     
1 1 1 4   8  10 o 5  17.5535      1.27843     669.408   11.9661      993.212   11.9661      216.419   11.9661      
1 1 1 4   8  11 o 11 0.447329     0.284444    251.082   -22.9978     ?         ?            ?         ?            
1 1 1 4   8  12 o 9  24.4625      1.31447     688       71.9597      1388.97   71.9597      387.473   71.9597      
1 1 1 4   8  13 o 11 41.3952      1.41377     1726.81   -45.0555     1837.02   -45.0555     135.5     -45.0555     
1 1 1 4   8  14 o 10 1.65332      0.495147    445.002   -82.513      279.615   97.487       341.553   97.487       
1 1 1 4   8  15 o 2  17.8885      0.912038    515.466   111.41       1380.96   111.41       457.925   111.41       
1 1 1 4   8  16 o 11 10.6339      1.06898     1222.05   -173.038     496.154   -173.038     306.353   6.96242      
1 1 1 4   8  17 f 0  11.3469      0.638959    814.29    -54.6149     933.457   -54.6149     93.1587   -54.6149     
1 1 1 4   8  18 o 16 6.65031      0.713448    1011.61   3.27419      316.15    3.27419      297.893   -176.726     
1 1 1 4   8  19 o 8  4.02189      0.448818    218.057   144.305      529.807   144.305      172.914   144.305      
1 1 1 4   8  20 o 2  3.73877      0.448824    524.419   -91.5674     543.916   -91.5674     63.9499   -91.5674     
1 1 1 4   8  21 o 8  1.00248      0.418296    139.228   -119.053     83.7816   -119.053     11.4046   60.9473      
1 1 1 4   10 0  o 1  19.4929      0.793202    1234.31   149.637      1079.05   149.637      43.2492   149.637      
1 1 1 4   10 1  o 14 16.9285      0.973473    414.099   -64.802      1024.25   -64.802      345.492   -64.802      
1 1 1 4   10 2  o 12 7.69683      0.706334    897.903   42.3948      197.794   -137.605     461.042   -137.605     
1 1 1 4   10 3  o 13 38.6221      1.64813     1254.21   146.18       2030.48   146.18       507.082   146.18       
1 1 1 4   10 4  f 0  0.511586     0.211818    484.523   -40.8278     345.996   139.172      370.86    139.172      
1 1 1 4   10 5  o 9  6.10469      0.699404    903.465   -84.1989     108.185   -84.1989     319.417   95.8011      
1 1 1 4   10 6  f 0  30.0621      1.26408     2223.7    74.7942      804.5     74.7942      533.047   -105.206     
1 1 1 4   10 7  o 6  18.494       1.08415     724.337   -83.1917     1212.87   -83.1917     295.205   -83.1917     
1 1 1 4   10 8  o 16 6.91408      0.782744    1011.77   6.60654      176.436   6.60654      356.487   -173.393     
1 1 1 4   10 9  o 7  15.3625      0.823159    1033.57   -165.446     937.617   -165.446     5.61974   -165.446     
1 1 1 4   10 10 o 8  0.994818     0.513583    472.586   97.133       ?         ?            ?         ?            
1 1 1 4   10 11 o 7  2.49046      0.291803    596.82    65.3817      257.915   -114.618     399.853   -114.618     
1 1 1 4   10 12 f 0  0.846981     0.266109    178.263   -1.02863     ?         ?            ?         ?            
1 1 1 4   10 13 o 1  2.22231      0.326435    323.66    -94.5452     56.0149   85.4548      174.102   85.4548      
1 1 1 4   10 14 o 9  2.37694      0.629917    387.11    -62.2605     80.6587   -62.2605     135.85    117.74       
1 1 1 4   10 15 o 12 6.8424       0.535036    751.088   97.6033      590.51    97.6033      49.3983   -82.3967     
1 1 1 4   10 16 f 0  0.654686     0.298821    183.745   -154.164     102.492   25.8357      134.067   25.8357      
1 1 1 4   10 17 o 10 2.25368      0.418559    541.424   -67.9881     143.128   -67.9881     158.717   112.012      
1 1 1 4   10 18 o 17 0.266297     0.293481    158.378   -143.164     75.1519   36.8359      100.922   36.8359      
1 1 1 4   10 19 o 13 0.925723     0.413562    53.6656   63.675       36.4061   63.675       2.62567   -116.325     
1 1 1 4   10 20 o 2  0.438584     0.424076    333.828   -68.7723     37.6465   111.228      145.431   111.228      
1 1 1 4   12 0  o 11 6.55335      0.649911    1105.16   -40.2118     42.552    -40.2118     473.671   139.788      
1 1 1 4   12 1  o 10 3.97539      0.36943     904.129   101.484      114.956   -78.5157     462.901   -78.5157     
1 1 1 4   12 2  o 6  4.33536      0.395111    1002.28   -46.2448     148.451   133.755      524.895   133.755      
1 1 1 4   12 3  o 2  13.5574      0.837537    450.683   -157.824     859.25    -157.824     226.243   -157.824     
1 1 1 4   12 4  o 7  6.84141      0.526997    970.061   15.557       229.365   15.557       324.639   -164.443     
1 1 1 4   12 5  f 0  7.23797      0.515133    999.93    126.585      188.239   126.585      359.794   -53.4153     
1 1 1 4   12 6  o 14 15.1258      1.73396     992.955   139.819      982.127   139.819      40.2244   139.819      
1 1 1 4   12 7  o 16 5.04461      0.607706    715.624   -116.872     184.046   -116.872     232.22    63.1275      
1 1 1 4   12 8  o 12 4.15865      0.422138    807.902   75.4959      46.772    75.4959      341.545   -104.504     
1 1 1 4   12 9  o 7  0.392343     0.252526    410.138   57.5399      357.857   -122.46      363.966   -122.46      
1 1 1 4   12 10 o 8  3.58812      0.410488    288.892   -11.8679     188.736   -11.8679     36.446    168.132      
1 1 1 4   12 11 o 11 3.31897      0.450837    569.779   -160.07      183.867   -160.07      168.199   19.9299      
1 1 1 4   12 12 o 6  0.829504     0.321211    543.102   28.4005      269.043   -151.599     383.724   -151.599     
1 1 1 4   12 13 o 4  0.560716     0.314378    324.928   16.0958      188.392   -163.904     241.335   -163.904     
1 1 1 4   12 14 o 6  0.421344     0.247028    420.254   -12.986      275.947   167.014      320.393   167.014      
1 1 1 4   12 15 o 16 1.37281      0.555857    643.628   158.376      329.834   -21.6245     428.576   -21.6245     
1 1 1 4   12 16 o 13 1.28119      0.413728    104.988   -78.3272     72.7915   -78.3272     5.00409   101.673      
1 1 1 4   12 17 o 1  1.01778      0.373989    43.1932   117.303      39.8645   117.303      3.38194   117.303      
1 1 1 4   14 0  o 8  3.47972      0.400637    342.968   -148.46      163.609   -148.46      73.277    31.5401      
1 1 1 4   14 1  o 14 1.47457      0.363348    565.928   99.2174      339.434   -80.7826     425.714   -80.7826     
1 1 1 4   14 2  f 0  2.8684       0.478897    710.673   106.273      46.547    -73.727      345.075   -73.727      
1 1 1 4   14 3  o 7  3.914        0.48032     504.728   -80.0119     255.315   -80.0119     101.318   99.9881      
1 1 1 4   14 4  o 13 1.08362      0.37661     545.646   46.5658      282.424   -133.434     389.47    -133.434     
1 1 1 4   14 5  o 8  2.94364      0.423915    583.822   126.688      46.8504   126.688      243.206   -53.3125     
1 1 1 4   14 6  o 7  0.716875     0.295837    102.055   31.2474      59.4073   -148.753     76.4805   -148.753     
1 1 1 4   14 7  o 4  6.05602      0.562487    419.697   -36.499      665.131   -36.499      140.026   -36.499      
1 1 1 4   14 8  o 6  2.50515      0.421396    87.483    0.534632     83.76     0.534631     1.99743   0.534631     
1 1 1 4   14 9  o 17 1.16714      0.356512    323.341   43.2028      22.7194   -136.797     156.036   -136.797     
1 1 1 4   14 10 o 14 0.883508     0.347488    188.901   -144.199     24.148    35.8012      93.7941   35.8012      
1 1 1 4   14 11 o 16 2.15687      0.40503     682.667   11.759       46.7973   11.759       259.498   -168.241     
1 1 1 4   14 12 o 16 2.72799      0.49041     355.891   31.366       359.514   31.366       37.5806   31.366       
1 1 1 4   14 13 o 9  0.0977729    0.309962    276.2     134.621      167.817   -45.3786     192.016   -45.3786     
1 1 1 4   14 14 f 0  0.626388     0.357585    388.404   -79.1142     2.69388   100.886      149.098   100.886      
1 1 1 4   16 0  o 14 0.0656875    0.274676    427.19    41.3062      276.139   -138.694     319.023   -138.694     
1 1 1 4   16 1  o 18 0.345213     0.281204    73.3477   114.864      37.6843   -65.1358     49.821    -65.1358     
1 1 1 4   16 2  o 19 0.949873     0.356758    212.863   94.0783      19.5699   94.0783      79.4968   -85.9217     
1 1 1 4   16 3  o 6  0.466781     0.369719    401.211   -77.3081     152.057   102.692      242.516   102.692      
1 1 1 4   16 4  o 6  0.83917      0.357312    191.583   7.60329      31.9651   -172.397     94.4023   -172.397     
1 1 1 4   16 5  o 14 0.111542     0.175041    111.801   -99.1958     76.429    80.8042      83.2977   80.8042      
1 1 1 4   16 6  o 7  0.0796514    0.26161     189.384   44.7627      103.329   -135.237     126.986   -135.237     
1 1 1 4   16 7  o 9  0.613379     0.283707    249.893   -12.2175     0.338347  167.783      98.4826   167.783      
1 1 1 4   16 8  o 9  1.21264      0.368191    399.1     138.472      159.794   138.472      75.4581   -41.5277     
1 1 1 4   16 9  o 8  0.363084     0.291895    227.451   65.9211      29.5183   -114.079     101.581   -114.079     
1 1 1 4   16 10 o 12 0.956246     0.486505    234.26    -179.022     137.101   -179.022     19.2894   0.977935     
1 1 1 5   1  0  o 2  19.8579      1.27368     3348.1    -60.0892     1033.57   119.911      2085.7    119.911      
1 1 1 5   1  1  o 6  12.0053      1.73171     768.418   -143.329     56.6266   -143.329     334.916   36.6708      
1 1 1 5   1  2  o 3  71.7224      1.90608     1618.8    172.996      2285.68   172.996      367.197   172.996      
1 1 1 5   1  3  o 17 24.6578      1.12152     1393.05   131.571      1084.39   -48.4288     1214.4    -48.4288     
1 1 1 5   1  4  o 6  290.387      6.49254     3917.38   57.2874      5389.37   57.2874      820.285   57.2874      
1 1 1 5   1  5  o 10 153.513      4.69495     3006.42   -72.0337     3750.06   -72.0337     471.824   -72.0337     
1 1 1 5   1  6  o 11 151.116      4.00351     2652.75   -58.1791     3894.03   -58.1791     749.479   -58.1791     
1 1 1 5   1  7  o 13 38.5439      1.59883     783.495   17.4437      556.503   17.4437      64.9537   -162.556     
1 1 1 5   1  8  o 5  47.2327      1.65203     1928.49   8.77606      1594.08   8.77606      31.6373   -171.224     
1 1 1 5   1  9  o 17 10.3273      0.610351    475.061   -71.3399     209.061   -71.3399     97.5628   108.66       
1 1 1 5   1  10 f 0  32.2678      1.24371     1227.43   141.153      1781.84   141.153      373.95    141.153      
1 1 1 5   1  11 o 9  7.20706      0.409325    1015.2    -49.6282     229.548   -49.6282     305.37    130.372      
1 1 1 5   1  12 o 13 17.4587      0.875109    1177.15   -29.8386     1110.34   -29.8386     78.5036   -29.8386     
1 1 1 5   1  13 o 7  7.85588      0.512639    1218.23   122.372      4.84743   122.372      485.625   -57.6284     
1 1 1 5   1  14 o 14 48.2762      1.7035      1334.55   166.847      2536.34   166.847      724.811   166.847      
1 1 1 5   1  15 o 7  32.4442      1.24571     1329.13   35.9082      1738.78   35.9082      304.95    35.9082      
1 1 1 5   1  16 o 13 52.1085      1.86359     2005.8    -17.9961     2076.68   -17.9961     147.212   -17.9961     
1 1 1 5   1  17 o 8  56.9266      1.86897     1716.84   -76.0778     2332.46   -76.0778     387.067   -76.0778     
1 1 1 5   1  18 o 8  13.3783      0.997062    745.305   -109.176     537.561   -109.176     68.2723   70.824       
1 1 1 5   1  19 o 16 13.155       0.634979    601.618   -133.967     1115.94   -133.967     285.987   -133.967     
1 1 1 5   1  20 o 12 81.6532      2.47116     1536.08   -20.3249     3526.81   -20.3249     1059.32   -20.3249     
1 1 1 5   1  21 o 15 10.3715      0.723238    416.143   77.9975      1168.19   77.9976      396.747   77.9976      
1 1 1 5   1  22 o 17 3.39057      0.560939    258.743   88.9976      225.682   88.9976      5.21697   88.9976      
1 1 1 5   1  23 o 12 16.3963      1.00024     502.943   64.0933      1702.75   64.0933      653.843   64.0933      
1 1 1 5   1  24 f 0  1.15439      0.374076    248.092   137.742      168.617   137.742      8.64868   -42.2576     
1 1 1 5   3  0  o 8  184.196      4.99603     3640.95   -178.287     3387.67   -178.287     56.9961   1.713        
1 1 1 5   3  1  o 14 74.3396      2.74483     1711.95   170.299      2217.39   170.299      287.491   170.299      
1 1 1 5   3  2  o 9  46.6041      1.63159     1768.98   4.09984      1497.01   4.09984      93.7807   -175.9       
1 1 1 5   3  3  o 7  155.569      4.3909      3874.7    -85.301      3050.87   -85.301      292.424   94.699       
1 1 1 5   3  4  o 17 98.804       2.95783     1953.95   117.984      3130.64   117.984      668.754   117.984      
1 1 1 5   3  5  o 12 4.68154      0.327303    260.629   -138.783     ?         ?            ?         ?            
1 1 1 5   3  6  o 4  50.3954      1.50966     1543.07   -90.4932     1583.64   -90.4932     117.87    -90.4932     
1 1 1 5   3  7  o 18 1.37193      0.178891    886.248   -109.334     ?         ?            ?         ?            
1 1 1 5   3  8  o 18 7.3408       0.628246    446.657   -39.6487     208.725   140.351      294.564   140.351      
1 1 1 5   3  9  o 14 40.9693      1.80496     1417.77   -39.3538     1814.31   -39.3538     308.486   -39.3538     
1 1 1 5   3  10 o 12 47.5619      2.00607     1791.68   -75.4734     1867.48   -75.4734     187.969   -75.4734     
1 1 1 5   3  11 o 9  6.28826      0.455783    1111.02   113.169      177.366   113.169      364.419   -66.8315     
1 1 1 5   3  12 o 1  20.7347      0.863215    1311.06   142.872      1138.07   142.872      42.9228   142.872      
1 1 1 5   3  13 o 17 21.5145      0.838951    811.655   148.967      1524.44   148.967      435.316   148.967      
1 1 1 5   3  14 o 18 2.1241       0.419393    600.99    133.7        367.123   -46.3        433.189   -46.3        
1 1 1 5   3  15 o 8  13.23        0.489503    779.493   54.7715      264.284   -125.229     471.148   -125.229     
1 1 1 5   3  16 o 1  8.36445      0.777333    983.236   -4.24789     356.461   -4.24789     264.652   175.752      
1 1 1 5   3  17 o 14 36.8134      1.75313     751.919   -133.687     2321.87   -133.687     819.613   -133.687     
1 1 1 5   3  18 o 1  16.3066      0.852232    1338.34   -55.1691     746.825   -55.1691     230.462   124.831      
1 1 1 5   3  19 o 6  1.45054      0.351285    643.882   -1.03648     214.766   178.964      399.958   178.964      
1 1 1 5   3  20 o 1  3.10879      0.770229    464.426   89.0582      198.186   89.0582      113.897   -90.9418     
1 1 1 5   3  21 o 9  2.92684      0.410365    72.2554   151.405      126.512   151.405      31.4784   151.405      
1 1 1 5   3  22 f 0  9.05647      0.663819    389.61    -145.674     1173.61   -145.674     429.053   -145.674     
1 1 1 5   3  23 o 19 10.9542      0.687912    424.5     -155.139     1356.74   -155.139     513.472   -155.139     
1 1 1 5   5  0  o 2  50.9549      2.365       2315.99   -171.486     1254.33   -171.486     401.317   8.51371      
1 1 1 5   5  1  o 7  141.133      5.5608      2943.08   169.246      3662.08   169.246      528.473   169.246      
1 1 1 5   5  2  o 15 51.5382      1.7978      2335.71   -158.512     1350.71   -158.512     351.117   21.4876      
1 1 1 5   5  3  o 5  44.8374      1.58139     1988.94   -81.3959     1498.73   -81.3959     116.674   98.6041      
1 1 1 5   5  4  o 19 1.41377      0.154277    197.217   -129.581     ?         ?            ?         ?            
1 1 1 5   5  5  o 19 62.0086      2.0999      2111.81   -109.568     2108.08   -109.568     150.027   -109.568     
1 1 1 5   5  6  o 15 27.4551      1.06289     1222.91   -123.846     1139.52   -123.846     49.3653   -123.846     
1 1 1 5   5  7  o 6  9.14129      0.643205    1188.44   169.23       214.525   169.23       395.258   -10.7702     
1 1 1 5   5  8  o 4  80.7022      2.32118     2679.6    -34.2202     2642.36   -34.2202     199.712   -34.2202     
1 1 1 5   5  9  o 15 19.4457      0.892263    1054.84   -86.2245     1258.46   -86.2245     194.7     -86.2245     
1 1 1 5   5  10 o 10 37.427       1.44663     1742.39   88.4616      1761.93   88.4616      175.871   88.4616      
1 1 1 5   5  11 o 7  9.31585      0.567594    544.837   129.379      321.986   129.379      57.2995   -50.6209     
1 1 1 5   5  12 o 8  12.1202      0.694109    911.939   179.686      628.636   179.686      54.3799   -0.313535    
1 1 1 5   5  13 o 11 19.4109      1.34217     1426.19   113.785      1001.59   113.785      94.3153   -66.2155     
1 1 1 5   5  14 o 18 34.0087      1.22798     1346.11   -84.5352     1625.76   -84.5352     226.54    -84.5352     
1 1 1 5   5  15 o 3  11.7428      0.726819    1076      59.4659      375.522   59.4659      296.59    -120.534     
1 1 1 5   5  16 o 11 3.43702      0.504478    430.88    4.17194      78.8912   -175.828     235.091   -175.828     
1 1 1 5   5  17 f 0  5.69736      0.456912    786.928   45.8565      416.801   -134.144     563.648   -134.144     
1 1 1 5   5  18 o 2  2.30348      0.413529    648.008   -11.3225     169.972   168.678      378.675   168.678      
1 1 1 5   5  19 o 17 9.79346      0.567182    352.328   87.7132      968.558   87.7132      322.624   87.7132      
1 1 1 5   5  20 o 17 3.42589      0.459533    196.895   161.203      227.287   161.203      25.5133   161.203      
1 1 1 5   5  21 o 11 0.770054     0.343494    409.303   -147.003     70.7426   32.9968      204.848   32.9968      
1 1 1 5   5  22 o 17 2.59691      0.405767    290.502   58.5002      473.556   58.5002      122.71    58.5002      
1 1 1 5   5  23 o 3  11.1893      0.654653    339.801   -166.375     1456.24   -166.375     600.766   -166.375     
1 1 1 5   7  0  o 15 8.98094      0.543737    1326.9    64.3728      63.509    64.3728      531.218   -115.627     
1 1 1 5   7  1  o 3  12.6184      0.759042    1291.66   120.291      354.901   120.291      370.179   -59.7087     
1 1 1 5   7  2  o 13 1.83758      0.227271    377.627   -69.282      229.21    110.718      274.431   110.718      
1 1 1 5   7  3  o 6  1.27545      0.246848    286.899   -16.5391     ?         ?            ?         ?            
1 1 1 5   7  4  o 14 6.90611      0.543339    1448.37   48.6531      248.25    -131.347     732.258   -131.347     
1 1 1 5   7  5  o 16 0.486595     0.184509    668.258   -74.5564     ?         ?            ?         ?            
1 1 1 5   7  6  o 7  7.73875      0.484243    1046.66   -113.963     157.485   -113.963     352.718   66.0369      
1 1 1 5   7  7  o 6  1.01167      0.34657     725.082   43           ?         ?            ?         ?            
1 1 1 5   7  8  o 10 15.3174      0.692487    1180.3    -59.9907     988.42    -59.9907     19.3627   -59.9907     
1 1 1 5   7  9  o 6  38.2678      1.39044     1250.6    -166.69      2163.59   -166.69      580.718   -166.69      
1 1 1 5   7  10 o 6  28.2408      1.32834     1588.8    36.4358      1443.04   36.4358      78.7121   36.4358      
1 1 1 5   7  11 o 15 1.05915      0.427159    103.121   -130.881     ?         ?            ?         ?            
1 1 1 5   7  12 o 12 36.1298      1.5348      1281.46   61.7665      1973.31   61.7665      434.493   61.7665      
1 1 1 5   7  13 f 0  17.7738      1.06675     1346.41   -124.374     413.542   -124.374     393.451   55.6263      
1 1 1 5   7  14 o 14 42.4267      1.49798     1918.37   -85.7401     1730.74   -85.7401     4.75225   94.2599      
1 1 1 5   7  15 o 5  27.101       1.20571     924.984   -38.2715     1750.38   -38.2715     456.11    -38.2715     
1 1 1 5   7  16 o 7  0.546824     0.336995    42.6271   8.43857      ?         ?            ?         ?            
1 1 1 5   7  17 o 8  7.9666       0.640051    445.96    115.16       641.826   115.16       117.994   115.16       
1 1 1 5   7  18 o 7  2.885        0.47836     228.458   -138.761     13.1211   -138.761     98.2237   41.2395      
1 1 1 5   7  19 o 12 0.576389     0.287018    249.601   169.064      108.748   -10.9362     165.012   -10.9362     
1 1 1 5   7  20 o 10 10.9802      0.669395    605.144   97.9826      1232.38   97.9826      367.64    97.9826      
1 1 1 5   7  21 o 9  0.400115     0.319196    153.332   -138.256     65.3063   41.7435      92.7685   41.7435      
1 1 1 5   7  22 o 11 0.957737     0.4011      135.325   144.953      115.338   144.953      6.95675   144.953      
1 1 1 5   9  0  o 6  3.63765      0.356528    1269.23   36.6389      261.952   -143.361     643.941   -143.361     
1 1 1 5   9  1  o 18 29.1517      1.25135     1930.64   31.0945      1116.64   31.0945      221.096   -148.906     
1 1 1 5   9  2  o 12 17.1165      0.898449    1253.26   -94.4387     1063.65   -94.4387     27.0356   -94.4387     
1 1 1 5   9  3  o 2  6.01246      0.542304    746.7     108.201      322.118   108.201      138.837   -71.7994     
1 1 1 5   9  4  o 8  11.9433      0.929137    1299.3    -42.7195     404.759   -42.7195     318.301   137.28       
1 1 1 5   9  5  o 12 19.4751      0.66949     1329      63.8554      1124.92   63.8554      29.7069   63.8554      
1 1 1 5   9  6  o 18 6.47533      0.448594    1003.64   -85.4612     23.4658   -85.4612     392.743   94.5388      
1 1 1 5   9  7  o 15 5.45297      0.393064    1462.95   49.5106      235.092   -130.489     714.676   -130.489     
1 1 1 5   9  8  o 16 0.779316     0.231045    587.84    13.6585      452.148   -166.342     471.139   -166.342     
1 1 1 5   9  9  o 11 5.81715      0.524711    1372.76   -15.0994     238.113   164.901      707.392   164.901      
1 1 1 5   9  10 o 7  3.10228      0.320154    820.678   -160.976     691.689   19.0244      707.731   19.0244      
1 1 1 5   9  11 o 10 7.08056      0.492604    421.39    -66.2789     276.205   -66.2789     51.7058   113.721      
1 1 1 5   9  12 o 8  1.98368      0.38019     176.428   147.502      132.653   -32.498      146.443   -32.498      
1 1 1 5   9  13 o 11 5.42624      0.543183    692.66    -158.819     187.778   -158.819     219.662   21.1811      
1 1 1 5   9  14 o 11 10.8356      0.651733    889.325   9.04678      642.948   9.04678      79.7384   -170.953     
1 1 1 5   9  15 o 2  4.41978      0.61622     208.032   133.964      235.025   133.964      23.0012   133.964      
1 1 1 5   9  16 o 4  2.27184      0.379847    196.036   168.402      85.0854   168.402      47.4054   -11.5979     
1 1 1 5   9  17 o 8  1.88197      0.379105    162.594   -61.1469     7.34544   118.853      76.9773   118.853      
1 1 1 5   9  18 o 11 2.73975      0.424135    150.708   123.846      267.807   123.846      70.0539   123.846      
1 1 1 5   9  19 o 5  0.753386     0.361587    164.257   24.7809      14.1375   24.7809      58.3355   -155.219     
1 1 1 5   9  20 o 2  0.660608     0.395639    253.538   132.973      63.3858   -47.027      129.472   -47.027      
1 1 1 5   11 0  o 5  1.96526      0.259954    521.578   100.488      232.588   -79.5117     336.521   -79.5117     
1 1 1 5   11 1  o 16 9.32128      0.806416    663.51    78.3679      511.551   78.3679      25.0676   -101.632     
1 1 1 5   11 2  o 16 4.93342      0.448658    1115.24   164.732      180.179   -15.2681     564.81    -15.2681     
1 1 1 5   11 3  o 8  13.511       0.852216    1169.02   141.762      526.13    141.762      238.948   -38.2382     
1 1 1 5   11 4  o 5  12.0165      0.772363    1256.73   -106.811     304.628   -106.811     393.641   73.1891      
1 1 1 5   11 5  o 16 16.0434      0.929211    1346.74   -64.749      729.236   -64.749      228.32    115.251      
1 1 1 5   11 6  o 13 1.7139       0.364405    729.719   12.587       416.546   -167.413     533.882   -167.413     
1 1 1 5   11 7  o 6  13.2153      0.837305    1013.73   114.954      707.456   114.954      103.571   -65.0457     
1 1 1 5   11 8  o 9  6.21092      0.466826    505.808   132.198      282.22    132.198      88.4293   -47.8017     
1 1 1 5   11 9  o 14 37.7342      1.55237     1470.52   46.8206      1912.08   46.8206      288.674   46.8206      
1 1 1 5   11 10 o 13 2.83573      0.472458    188.86    -24.3365     140.82    155.664      155.799   155.664      
1 1 1 5   11 11 o 9  3.62527      0.541536    230.389   -113.669     99.0059   -113.669     54.4348   66.3314      
1 1 1 5   11 12 o 14 0.594465     0.251904    422.326   -86.4135     351.286   93.5865      367.073   93.5865      
1 1 1 5   11 13 o 9  2.68903      0.431064    315.925   -137.261     99.9212   -137.261     94.6413   42.7393      
1 1 1 5   11 14 o 13 1.96016      0.408788    114.275   18.7589      38.1537   18.7589      33.2148   -161.241     
1 1 1 5   11 15 o 3  0.197505     0.274382    231.546   6.89208      ?         ?            ?         ?            
1 1 1 5   11 16 o 13 0.90328      0.313227    247.541   -151.489     7.47472   28.511       107.054   28.511       
1 1 1 5   11 17 o 15 1.12515      0.330976    238.675   121.169      71.3447   121.169      59.0459   -58.8311     
1 1 1 5   11 18 o 15 0.635981     0.377356    255.308   -37.096      0.347079  142.904      98.7005   142.904      
1 1 1 5   13 0  f 0  1.95031      0.324753    756.136   133.966      294.24    -46.0344     489.944   -46.0344     
1 1 1 5   13 1  o 5  6.22483      0.696006    727.663   -74.0056     298.522   -74.0056     180.556   105.994      
1 1 1 5   13 2  o 14 0.845009     0.250218    397.202   120.326      ?         ?            ?         ?            
1 1 1 5   13 3  o 8  8.99103      0.578887    1331.65   64.2647      187.002   64.2647      508.94    -115.735     
1 1 1 5   13 4  o 2  3.35226      0.565438    342.926   -132.605     1.02444   47.3952      155.429   47.3952      
1 1 1 5   13 5  o 14 12.4359      0.814036    722.37    -67.5353     1018.64   -67.5353     183.378   -67.5353     
1 1 1 5   13 6  o 6  5.56619      0.450198    594.224   127.054      377.271   127.054      79.5108   -52.9463     
1 1 1 5   13 7  o 3  3.50743      0.483897    441.783   -12.8931     61.1795   -12.8931     169.284   167.107      
1 1 1 5   13 8  o 3  2.07668      0.516471    359.896   -157.181     31.6154   22.8193      179.542   22.8193      
1 1 1 5   13 9  o 8  3.09299      0.445926    352.381   111.67       62.9948   111.67       129.871   -68.3303     
1 1 1 5   13 10 o 10 0.286254     0.25884     166.316   34.5159      ?         ?            ?         ?            
1 1 1 5   13 11 o 10 1.8286       0.461335    284.544   -146.486     106.658   -146.486     75.3852   33.5136      
1 1 1 5   13 12 o 1  1.49844      0.352752    266.025   164.682      12.4714   -15.3181     122.347   -15.3181     
1 1 1 5   13 13 o 6  7.94644      0.609397    779.771   13.9192      805.683   13.9192      79.3998   13.9192      
1 1 1 5   13 14 o 15 2.32061      0.345727    439.574   62.9251      324.084   62.9251      12.8806   -117.075     
1 1 1 5   13 15 o 10 1.55075      0.341623    241.442   -11.9085     276.814   -11.9085     44.433    -11.9085     
1 1 1 5   13 16 o 11 0.236776     0.378731    156.246   143.677      18.8549   -36.3231     68.0255   -36.3231     
1 1 1 5   15 0  o 19 4.76445      0.559124    806.491   -101.376     275.77    -101.376     231.782   78.6238      
1 1 1 5   15 1  o 14 5.04077      0.502659    718.206   -29.3285     384.084   -29.3285     137.005   150.671      
1 1 1 5   15 2  o 10 0.349767     0.319663    335.547   -121.169     221.484   58.8309      264.257   58.8309      
1 1 1 5   15 3  o 16 3.25994      0.748908    772.923   146.867      134.184   146.867      285.399   -33.133      
1 1 1 5   15 4  o 15 0.788398     0.334117    440.909   -165.249     242.774   14.751       321.183   14.751       
1 1 1 5   15 5  o 3  0.431418     0.270347    441.143   174.22       240.754   -5.78018     318       -5.78018     
1 1 1 5   15 6  o 12 0.835684     0.324603    98.7196   -125.781     16.2192   54.2189      51.5261   54.2189      
1 1 1 5   15 7  o 6  0.475066     0.289307    352.04    -137.945     142.09    42.0551      221.885   42.0551      
1 1 1 5   15 8  o 8  0.159349     0.242712    77.0161   96.6892      43.7393   -83.3108     53.8523   -83.3108     
1 1 1 5   15 9  o 2  0.104153     0.158619    70.7138   -82.1356     49.424    97.8644      53.2152   97.8644      
1 1 1 5   15 10 o 12 0.975328     0.397535    173.162   32.064       67.7091   32.064       34.5147   -147.936     
1 1 1 5   15 11 o 15 0.616744     0.370311    163.5     -176.495     14.2182   -176.495     56.4788   3.50485      
1 1 1 5   15 12 f 0  0.998538     0.401809    324.843   122.967      116.24    122.967      64.6211   -57.0335     
1 1 1 5   17 0  o 10 0.737682     0.332872    519.571   -123.838     74.7592   56.1621      240.168   56.1621      
1 1 1 5   17 1  f 0  0.349353     0.31597     173.619   126.899      52.428    -53.1009     93.9002   -53.1009     
1 1 1 5   17 2  o 3  0.940352     0.35843     248.238   121.685      79.549    121.685      56.7257   -58.315      
1 1 1 5   17 3  o 13 1.12276      0.359852    185.176   -65.9678     151.879   -65.9678     4.33569   -65.9678     
1 1 1 5   17 4  o 11 1.39563      0.360321    482.854   -72.3464     183.171   -72.3464     93.4289   107.654      
1 1 1 5   17 5  o 13 0.499165     0.561759    352.412   51.6503      0.76017   -128.35      133.607   -128.35      
1 1 1 5   17 6  o 18 0.20974      0.310981    102.539   -28.8809     40.2238   151.119      58.5396   151.119      
1 1 1 6   0  0  o 15 0.246376     0.494938    3722.05   -180         3392.02   1.56558e-14  3430.44   1.54018e-14  
1 1 1 6   0  1  o 8  106.201      5.41603     2103.02   180          3508.44   180          764.018   180          
1 1 1 6   0  2  f 0  38.104       1.84579     735.787   0            1574.42   0            435.294   0            
1 1 1 6   0  3  o 11 246.908      7.35483     3797.21   0            5081.47   0            708.557   0            
1 1 1 6   0  4  o 6  5.66553      0.359879    397.592   180          ?         ?            ?         ?            
1 1 1 6   0  5  o 13 242.562      11.0546     3780.35   0            4948.17   0            708.091   0            
1 1 1 6   0  6  o 19 30.9193      2.22566     1962.56   0            1352.13   180          1562.49   180          
1 1 1 6   0  7  o 5  9.35144      0.652922    620.504   0            ?         ?            ?         ?            
1 1 1 6   0  8  o 17 346.965      15.3442     4025.32   180          6481.71   180          1511.19   180          
1 1 1 6   0  9  o 5  25.3419      1.38578     918.753   180          1652.38   180          435.371   180          
1 1 1 6   0  10 o 17 1.53597      0.36345     910.712   0            ?         ?            ?         ?            
1 1 1 6   0  11 o 4  31.5457      2.8699      913.432   0            2322.12   0            783.16    0            
1 1 1 6   0  12 o 7  10.7828      0.849847    269.531   0            192.867   0            12.6693   180          
1 1 1 6   0  13 o 8  13.1399      1.06435     862.318   180          1121.11   180          215.08    180          
1 1 1 6   0  14 o 12 59.726       3.10155     1450.64   0            3121.98   0            969.927   0            
1 1 1 6   0  15 o 4  8.10244      0.809943    223.22    0            220.497   0            15.3357   0            
1 1 1 6   0  16 o 11 9.11055      0.590457    458.959   180          517.405   180          54.5985   180          
1 1 1 6   0  17 o 8  1.24699      0.950349    356.194   180          323.066   6.35933e-18  323.212   3.17822e-18  
1 1 1 6   0  18 o 17 20.6217      2.91675     949.597   0            1422.33   0            281.816   0            
1 1 1 6   0  19 o 8  1.54395      0.51664     341.151   180          120.68    1.09236e-14  214.617   3.07118e-15  
1 1 1 6   0  20 f 0  11.6537      0.816475    1016.01   180          941.806   180          5.06961   180          
1 1 1 6   0  21 o 5  -0.0858633   0.47515     35.1892   180          ?         ?            ?         ?            
1 1 1 6   0  22 o 12 10.1623      1.05922     57.3316   180          403.333   180          177.89    180          
1 1 1 6   0  23 o 10 1.15947      0.618298    72.063    0            16.618    0            19.9637   180          
1 1 1 6   0  24 o 13 0.100562     0.407906    226.139   0            108.52    180          139.033   180          
1 1 1 6   2  0  o 13 86.067       2.43992     1984.57   -43.9096     2541.82   -43.9096     316.373   -43.9096     
1 1 1 6   2  1  o 6  196.447      4.06825     1759.09   -173.355     5436.34   -173.355     1870.22   -173.355     
1 1 1 6   2  2  o 14 56.7477      1.65655     1101.82   23.5131      2090.72   23.5131      513.867   23.5131      
1 1 1 6   2  3  o 4  248.886      7.45816     3640.49   -27.9261     4988.95   -27.9261     751.14    -27.9261     
1 1 1 6   2  4  o 2  50.3747      1.76486     1819.17   -73.5417     1232.07   -73.5417     238.725   106.458      
1 1 1 6   2  5  o 11 20.9312      0.893214    2216.08   28.0653      168.155   -151.935     1096.24   -151.935     
1 1 1 6   2  6  o 13 37.862       1.46986     1689.25   13.2352      1015.39   13.2352      241.137   -166.765     
1 1 1 6   2  7  o 11 51.3919      1.76231     1819.74   -48.559      1382.72   -48.559      96.9245   131.441      
1 1 1 6   2  8  o 13 64.8673      2.41888     1979.87   105.329      2231.97   105.329      269.662   105.329      
1 1 1 6   2  9  f 0  25.1535      0.925145    1368.64   135.462      1191.59   135.462      15.6121   135.462      
1 1 1 6   2  10 o 16 9.32637      0.546403    540.647   154.786      400.747   154.786      26.0641   -25.2138     
1 1 1 6   2  11 o 6  11.8901      0.568305    599.844   32.831       406.904   32.831       42.8854   -147.169     
1 1 1 6   2  12 o 12 18.619       0.693554    972.784   79.2107      1127.04   79.2107      171.821   79.2107      
1 1 1 6   2  13 o 4  30.4421      1.11536     1633.96   -95.53       1442.05   -95.53       65.3299   -95.53       
1 1 1 6   2  14 f 0  35.4869      1.46156     832.926   -111.461     1853.16   -111.461     583.996   -111.461     
1 1 1 6   2  15 o 19 57.2788      2.40142     1524.13   84.1319      2609.87   84.1319      648.974   84.1319      
1 1 1 6   2  16 o 17 17.8926      0.750789    1452.74   40.1663      774.95    40.1663      263.468   -139.834     
1 1 1 6   2  17 o 15 20.5935      0.853621    1264.27   72.9986      1134.46   72.9986      6.91243   -107.001     
1 1 1 6   2  18 o 2  16.281       0.978885    442.705   -19.8294     388.055   -19.8294     5.86887   160.171      
1 1 1 6   2  19 o 13 0.515302     0.373513    654.303   -54.8539     ?         ?            ?         ?            
1 1 1 6   2  20 o 3  4.42757      0.509309    449.776   -106.663     ?         ?            ?         ?            
1 1 1 6   2  21 o 18 1.9685       0.447925    302.181   -155.204     173.115   -155.204     47.7431   24.7958      
1 1 1 6   2  22 o 15 4.72918      0.495766    694.078   7.87429      519.303   7.87429      24.1923   -172.126     
1 1 1 6   2  23 o 7  3.60951      0.474344    377.521   131.332      557.901   131.332      131.596   131.332      
1 1 1 6   2  24 o 9  -0.462074    0.175522    259.447   168.704      ?         ?            ?         ?            
1 1 1 6   4  0  o 4  19.3793      1.10295     1484.66   75.8752      107.747   75.8752      634.876   -104.125     
1 1 1 6   4  1  o 6  151.782      4.44547     2534.69   -159.264     3964.48   -159.264     812.116   -159.264     
1 1 1 6   4  2  o 18 3.77018      0.27551     850.612   -119.312     ?         ?            ?         ?            
1 1 1 6   4  3  o 3  134.665      3.85832     3535.47   125.403      2783.71   125.403      198.04    -54.5968     
1 1 1 6   4  4  o 16 73.7514      2.01629     2838.04   -128.4       1893.82   -128.4       306.778   51.5996      
1 1 1 6   4  5  o 17 86.8481      2.34591     2506.99   85.8619      1786.14   85.8619      196.243   -94.1381     
1 1 1 6   4  6  f 0  41.7688      1.36026     1622.84   163.355      1712.38   163.355      159.581   163.355      
1 1 1 6   4  7  o 6  16.2437      0.793527    1088.26   137.56       752.3     137.56       87.3351   -42.4405     
1 1 1 6   4  8  o 5  24.2106      1.30685     1394.98   -138.658     1242.49   -138.658     31.4755   -138.658     
1 1 1 6   4  9  o 19 8.39003      0.512256    825.78    -168.854     542.693   11.1461      616.288   11.1461      
1 1 1 6   4  10 o 17 5.33933      0.396228    329.277   126.682      184.229   126.682      42.9389   -53.3184     
1 1 1 6   4  11 o 4  9.26839      0.605999    747.993   -33.5616     617.254   -33.5616     7.31586   -33.5616     
1 1 1 6   4  12 o 7  34.0869      1.24019     833.226   -21.6042     1952.26   -21.6042     642.046   -21.6042     
1 1 1 6   4  13 o 3  17.7219      0.762323    760.031   -173.394     1200.05   -173.394     289.287   -173.394     
1 1 1 6   4  14 o 18 3.24883      0.323597    703.952   -100.831     ?         ?            ?         ?            
1 1 1 6   4  15 o 1  12.9183      0.693366    394.161   -119.839     538.705   -119.839     94.2685   -119.839     
1 1 1 6   4  16 o 3  100.348      3.50228     2376.38   136.327      3285.92   136.327      564.905   136.327      
1 1 1 6   4  17 o 3  18.283       0.979562    1071.34   -47.7492     1199.78   -47.7492     114.996   -47.7492     
1 1 1 6   4  18 o 8  41.1686      1.7471      1286.33   39.7831      2011.68   39.7831      425.014   39.7831      
1 1 1 6   4  19 o 13 8.01768      0.896553    1047.27   68.1046      70.3493   68.1046      443.786   -111.895     
1 1 1 6   4  20 o 2  5.85553      0.55671     558.572   115.364      371.594   115.364      68.2172   -64.6362     
1 1 1 6   4  21 o 5  2.11496      0.404259    309.09    135.951      91.9595   135.951      85.6009   -44.0495     
1 1 1 6   4  22 o 15 1.35953      0.481915    362.478   -179.233     105.577   -179.233     91.0169   0.767494     
1 1 1 6   4  23 o 11 2.98499      0.404373    286.292   33.1974      416.08    33.1974      99.063    33.1974      
1 1 1 6   6  0  o 9  7.94685      0.873941    180.246   -133.323     12.1496   46.6774      83.5476   46.6774      
1 1 1 6   6  1  o 2  17.1209      1.00595     1475.27   -44.3242     501.244   -44.3242     382.637   135.676      
1 1 1 6   6  2  o 19 68.271       2.74684     2246.53   17.7802      2396.66   17.7802      236.458   17.7802      
1 1 1 6   6  3  o 10 63.239       1.9994      2380.84   148.256      1924.93   148.256      53.6418   -31.7439     
1 1 1 6   6  4  o 2  24.6878      1.24125     969.174   29.7706      1308.16   29.7706      241.926   29.7706      
1 1 1 6   6  5  o 19 26.8762      1.07998     1084.41   99.5695      1533.31   99.5695      307.546   99.5695      
1 1 1 6   6  6  o 5  2.08934      0.347316    1100.35   11.8688      614.451   -168.131     769.905   -168.131     
1 1 1 6   6  7  o 3  5.76547      0.415236    466.036   -173.611     67.9402   -173.611     159.868   6.38944      
1 1 1 6   6  8  o 19 27.1528      0.923684    1060.53   81.3309      1620.44   81.3309      375.642   81.3309      
1 1 1 6   6  9  o 19 14.9941      0.900255    1220.73   40.7755      786.195   40.7755      99.6171   -139.225     
1 1 1 6   6  10 o 3  15.5337      0.714843    1390.66   -125.014     713.059   -125.014     200.593   54.9861      
1 1 1 6   6  11 o 1  15.3845      0.884338    1023.06   -139.673     937.715   -139.673     55.3167   -139.673     
1 1 1 6   6  12 o 11 8.65246      0.728449    915.89    71.0282      372.589   71.0282      194.653   -108.972     
1 1 1 6   6  13 o 14 26.852       0.989055    1297.45   78.1445      1471.17   78.1445      173.817   78.1445      
1 1 1 6   6  14 o 16 5.0983       0.447165    325.191   159.079      55.7435   -20.9212     173.571   -20.9212     
1 1 1 6   6  15 o 9  47.2181      1.71972     1748.91   -112.288     2069.91   -112.288     240.808   -112.288     
1 1 1 6   6  16 o 7  11.5548      0.874039    477.823   -64.4992     778.652   -64.4992     173.267   -64.4992     
1 1 1 6   6  17 o 17 1.54794      0.439821    741.053   -146.547     653.772   33.4528      661.66    33.4528      
1 1 1 6   6  18 o 8  2.08063      0.420523    348.882   -107.962     ?         ?            ?         ?            
1 1 1 6   6  19 o 5  10.2486      0.676889    954.628   46.9611      769.704   46.9611      49.7656   -133.039     
1 1 1 6   6  20 o 3  5.41006      0.540734    188.489   -46.0834     670.164   -46.0834     254.285   -46.0834     
1 1 1 6   6  21 o 15 1.31539      0.351142    268.066   25.9611      77.674    25.9611      68.0893   -154.039     
1 1 1 6   6  22 o 2  0.82851      0.435914    279.739   49.5762      84.8113   49.5762      65.1575   -130.424     
1 1 1 6   8  0  o 10 11.8738      0.646155    1173.68   -100.933     566.561   -100.933     204.882   79.067       
1 1 1 6   8  1  o 17 5.65917      0.427185    1258.56   178.293      70.6613   -1.70697     558.015   -1.70697     
1 1 1 6   8  2  o 8  3.4073       0.389995    518.135   -174.244     421.925   5.7565       425.413   5.7565       
1 1 1 6   8  3  o 13 3.31681      0.376761    1367.29   -121.406     914.172   58.5938      1019.92   58.5938      
1 1 1 6   8  4  f 0  32.5231      1.57364     1569.38   66.1053      1673.83   66.1053      195.633   66.1053      
1 1 1 6   8  5  o 8  3.50958      0.371292    493.315   -0.838616    153.361   179.161      276.549   179.161      
1 1 1 6   8  6  o 16 6.06589      0.454546    552.116   63.388       220.837   63.388       111.551   -116.612     
1 1 1 6   8  7  o 2  12.5529      0.5381      1322.07   156.56       533.223   156.56       263.03    -23.4405     
1 1 1 6   8  8  o 10 12.6175      0.702246    835.118   142.19       664.742   142.19       3.85593   -37.8102     
1 1 1 6   8  9  o 18 7.08513      0.530018    1029.51   -69.9129     232.065   -69.9129     305.507   110.087      
1 1 1 6   8  10 o 2  34.2584      1.58508     1950.27   -157.034     1445.29   -157.034     98.9239   22.9663      
1 1 1 6   8  11 o 11 13.811       0.757513    167.661   58.4405      322.161   58.4405      88.0263   58.4405      
1 1 1 6   8  12 o 13 10.971       0.58129     665.46    121.859      678.863   121.859      41.2114   121.859      
1 1 1 6   8  13 o 14 46.6255      1.84247     1542.02   100.385      2170.98   100.385      385.572   100.385      
1 1 1 6   8  14 o 16 10.7554      0.681628    1055.11   165.33       634.653   165.33       160.537   -14.6703     
1 1 1 6   8  15 o 17 1.2392       0.370673    349.129   -47.0356     ?         ?            ?         ?            
1 1 1 6   8  16 o 7  4.34735      0.485282    549.088   54.7625      230.35    54.7625      134.462   -125.238     
1 1 1 6   8  17 o 10 4.12737      0.528797    383.294   119.533      ?         ?            ?         ?            
1 1 1 6   8  18 o 17 1.19164      0.408688    201.309   -159.521     23.6498   -159.521     78.2138   20.4795      
1 1 1 6   8  19 o 11 5.24928      0.499405    448.787   69.0089      719.534   69.0089      172.726   69.0089      
1 1 1 6   8  20 o 9  1.09011      0.360658    185.439   0.798331     103.946   0.798331     21.2046   -179.202     
1 1 1 6   8  21 o 16 1.56643      0.45971     184.93    77.1007      273.597   77.1007      66.6583   77.1007      
1 1 1 6   10 0  o 13 12.7287      0.64077     809.789   -92.8504     801.171   -92.8504     74.6261   -92.8504     
1 1 1 6   10 1  o 19 5.94543      0.554923    1111.17   39.7042      96.1044   39.7042      399.704   -140.296     
1 1 1 6   10 2  o 17 14.0663      0.84915     1037.09   -78.5208     769.128   -78.5208     34.4927   101.479      
1 1 1 6   10 3  o 4  2.94944      0.361589    738.487   -128.592     ?         ?            ?         ?            
1 1 1 6   10 4  o 17 11.4025      0.646833    1147.7    51.2119      613.411   51.2119      163.581   -128.788     
1 1 1 6   10 5  o 4  1.07926      0.310592    1109.77   -47.9539     808.904   132.046      865.263   132.046      
1 1 1 6   10 6  o 13 21.2762      1.24136     1466.43   -94.0227     1009.13   -94.0227     115.394   85.9773      
1 1 1 6   10 7  o 15 14.0881      0.803382    317.689   142.759      568.015   142.759      146.768   142.759      
1 1 1 6   10 8  o 17 17.5524      1.02314     1007.32   -134.711     1094.34   -134.711     102.31    -134.711     
1 1 1 6   10 9  o 12 5.87213      0.521144    546.308   75.7061      187.47    75.7061      151.867   -104.294     
1 1 1 6   10 10 f 0  13.7369      1.07799     1202.2    5.37757      213.912   5.37756      438.513   -174.622     
1 1 1 6   10 11 o 17 0.726197     0.245249    464.588   137.681      381.775   -42.3194     401.63    -42.3194     
1 1 1 6   10 12 o 8  10.6043      0.764785    860.24    -120.24      742.892   -120.24      16.9982   59.7596      
1 1 1 6   10 13 o 6  1.18928      0.356937    167.839   -25.2935     59.8066   154.706      105.722   154.706      
1 1 1 6   10 14 o 10 1.56088      0.355946    394.267   -163.864     38.9616   16.1364      199.279   16.1364      
1 1 1 6   10 15 o 9  1.27845      0.330786    206.774   -53.1368     17.683    126.863      103.687   126.863      
1 1 1 6   10 16 o 4  0.923461     0.322584    158.589   110.717      73.2151   -69.2829     107.584   -69.2829     
1 1 1 6   10 17 o 11 1.47839      0.327037    395.044   86.2174      120.343   86.2174      105.939   -93.7826     
1 1 1 6   10 18 o 8  0.411595     0.291764    97.148    -90.1681     ?         ?            ?         ?            
1 1 1 6   10 19 o 10 1.65756      0.463943    332.392   64.473       292.997   64.473       18.2978   64.473       
1 1 1 6   12 0  f 0  12.6752      1.11008     1314.18   68.4946      450.11    68.4946      364.493   -111.505     
1 1 1 6   12 1  o 18 10.0945      0.589152    989.44    176.912      476.521   176.912      206.201   -3.08843     
1 1 1 6   12 2  o 19 5.29567      0.454714    602.991   112.978      15.9631   -67.0222     279.572   -67.0222     
1 1 1 6   12 3  o 17 10.6705      0.732559    559.708   -78.4726     710.308   -78.4726     102.213   -78.4726     
1 1 1 6   12 4  o 14 3.86853      0.395225    398.619   110.215      34.5597   110.215      163.416   -69.7851     
1 1 1 6   12 5  o 15 16.1231      0.817778    1055.51   -70.3128     870.52    -70.3128     44.0278   109.687      
1 1 1 6   12 6  o 18 8.27742      1.20326     456.267   -48.006      532.654   -48.006      59.2343   -48.006      
1 1 1 6   12 7  o 5  3.69195      0.536058    287.608   82.3471      77.8795   82.3471      91.2793   -97.6529     
1 1 1 6   12 8  o 12 5.16791      0.510126    406.695   -55.8725     330.214   -55.8725     18.4979   124.127      
1 1 1 6   12 9  f 0  1.56699      0.282561    289.171   -85.3937     69.1953   94.6063      165.098   94.6063      
1 1 1 6   12 10 o 12 3.35743      0.45516     526.305   144.307      61.2154   144.307      208.042   -35.6929     
1 1 1 6   12 11 o 18 0.133087     0.235042    98.6268   157.037      ?         ?            ?         ?            
1 1 1 6   12 12 o 5  3.40703      0.540388    306.485   70.7825      329.608   70.7825      24.2536   70.7825      
1 1 1 6   12 13 o 2  -0.269147    0.142357    608.025   -139.485     546.654   40.5153      547.184   40.5153      
1 1 1 6   12 14 o 19 0.792653     0.365999    390.539   91.2051      95.6219   -88.7949     215.67    -88.7949     
1 1 1 6   12 15 o 2  0.576993     0.373882    114.254   24.2465      ?         ?            ?         ?            
1 1 1 6   12 16 o 17 0.543389     0.283295    551.85    27.6371      214.262   -152.363     323.94    -152.363     
1 1 1 6   12 17 o 3  0.569189     0.365821    296.749   -107.763     79.7922   72.237       152.705   72.237       
1 1 1 6   14 0  o 2  0.723297     0.283179    971.54    16.1743      627.701   -163.826     753.389   -163.826     
1 1 1 6   14 1  o 1  5.60785      0.565412    838.567   -90.1972     301.184   -90.1972     228.971   89.8028      
1 1 1 6   14 2  o 10 5.50486      0.713385    479.201   -86.3582     349.748   -86.3582     42.2845   93.6418      
1 1 1 6   14 3  o 4  3.36785      0.442596    779.524   68.3483      51.22     68.3483      328.376   -111.652     
1 1 1 6   14 4  o 4  1.29193      0.414696    257.175   30.4038      87.5225   -149.596     160.905   -149.596     
1 1 1 6   14 5  o 1  7.16643      0.589975    1090.64   6.00914      344.248   6.00914      326.528   -173.991     
1 1 1 6   14 6  o 1  6.48101      0.55548     611.54    -89.3806     652.895   -89.3806     45.9705   -89.3806     
1 1 1 6   14 7  o 18 8.98522      0.691223    773.94    147.587      804.579   147.587      47.465    147.587      
1 1 1 6   14 8  o 17 1.61721      0.434519    266.406   -42.7324     69.0891   -42.7324     86.5564   137.268      
1 1 1 6   14 9  f 0  0.782123     0.385211    408.658   -114.901     175.655   65.0992      269.616   65.0992      
1 1 1 6   14 10 o 13 0.755421     0.508334    294.522   -94.1106     84.5381   85.8894      168.641   85.8894      
1 1 1 6   14 11 o 3  0.580694     0.319195    247.743   151.536      179.416   -28.4639     191.549   -28.4639     
1 1 1 6   14 12 o 12 2.60852      0.414013    285.603   -129.207     349.708   -129.207     61.3073   -129.207     
1 1 1 6   14 13 o 4  0.82765      0.32289     98.3638   84.8898      47.182    84.8898      14.7824   -95.1102     
1 1 1 6   14 14 o 2  0.00587725   0.240965    351.612   66.3622      196.07    -113.638     230.855   -113.638     
1 1 1 6   16 0  o 13 0.0603638    0.284272    361.918   8.13246      229.239   -171.868     267.319   -171.868     
1 1 1 6   16 1  o 17 -0.238504    0.281374    389.411   -136.543     281.272   43.4568      304.387   43.4568      
1 1 1 6   16 2  o 5  0.149565     0.32286     377.518   -33.4976     250.067   146.502      282.628   146.502      
1 1 1 6   16 3  o 16 0.789729     0.422378    263.285   58.5016      58.5634   -121.498     137.999   -121.498     
1 1 1 6   16 4  o 14 0.509831     0.408781    271.36    87.0957      89.6724   -92.9043     155.382   -92.9043     
1 1 1 6   16 5  o 8  0.207455     0.348958    593.474   -55.4513     304.855   124.549      390.757   124.549      
1 1 1 6   16 6  o 17 0.246144     0.325696    272.188   -116.335     102.466   63.6653      159.157   63.6653      
1 1 1 6   16 7  o 16 0.830682     0.33898     284.805   142.154      57.4668   142.154      83.0609   -37.8462     
1 1 1 6   16 8  o 6  0.482668     0.319852    292.55    -102.005     36.3119   77.9954      131.672   77.9954      
1 1 1 6   16 9  o 13 0.713656     0.299274    386.23    -7.99182     36.746    -7.99182     128.238   172.008      
1 1 1 6   16 10 o 18 0.209315     0.279132    255.82    66.8288      76.4684   -113.171     134.739   -113.171     
1 1 1 7   1  0  o 10 51.9432      1.4237      1522.79   -150.36      1787.04   -150.36      170.989   -150.36      
1 1 1 7   1  1  o 2  51.158       4.85703     2570      -13.8976     1030.22   -13.8976     712.643   166.102      
1 1 1 7   1  2  o 1  69.9687      1.99668     1526.6    -153.919     2324.32   -153.919     426.767   -153.919     
1 1 1 7   1  3  o 11 148.734      3.35022     2672.81   160.551      3404.61   160.551      414.419   160.551      
1 1 1 7   1  4  o 15 47.4704      1.73491     1779.86   -66.8283     1299.81   -66.8283     195.54    113.172      
1 1 1 7   1  5  o 10 348.873      10.0157     4193.57   165.984      6208.06   165.984      1166.45   165.984      
1 1 1 7   1  6  o 17 200.593      5.35867     3410.37   -131.679     4351.11   -131.679     650.302   -131.679     
1 1 1 7   1  7  f 0  74.3017      2.62916     2264.9    -68.9889     2323.81   -68.9889     175.868   -68.9889     
1 1 1 7   1  8  o 16 224.926      5.56033     3708.5    -49.56       4766.73   -49.56       794.593   -49.56       
1 1 1 7   1  9  o 3  27.8289      1.01837     1437.82   -39.5004     1272.69   -39.5004     25.8553   -39.5004     
1 1 1 7   1  10 o 1  100.076      3.46134     2533.68   -66.8577     2966.74   -66.8577     419.492   -66.8577     
1 1 1 7   1  11 o 4  5.63533      0.346187    659.384   165.725      176.483   -14.2754     359.895   -14.2754     
1 1 1 7   1  12 o 2  6.97593      0.638875    962.473   62.2151      77.036    62.2151      349.808   -117.785     
1 1 1 7   1  13 o 7  27.3333      1.04933     746.247   -28.9127     1896.32   -28.9127     648.982   -28.9127     
1 1 1 7   1  14 o 19 16.053       0.81747     678.025   -141.335     1010.84   -141.335     227.614   -141.335     
1 1 1 7   1  15 o 6  94.1376      2.88097     1965.23   -79.4165     3546.63   -79.4165     931.295   -79.4165     
1 1 1 7   1  16 o 5  8.48126      0.687185    821.619   -176.554     129.119   3.44565      431.786   3.44565      
1 1 1 7   1  17 o 19 49.7975      1.73463     1360.85   13.5468      2357.16   13.5468      560.595   13.5468      
1 1 1 7   1  18 o 12 43.0024      1.90066     1653.25   174.738      1957.43   174.738      231.923   174.738      
1 1 1 7   1  19 o 7  1.69554      0.370855    537.126   61.0197      243.674   -118.98      365.116   -118.98      
1 1 1 7   1  20 o 1  2.55054      0.414861    253.664   -163.115     ?         ?            ?         ?            
1 1 1 7   1  21 o 9  2.77363      0.474611    122.036   -14.2059     162.619   -14.2059     26.8867   -14.2059     
1 1 1 7   1  22 o 6  6.58297      0.679648    494.714   -137.085     571.75    -137.085     82.816    -137.085     
1 1 1 7   1  23 o 14 3.25806      0.561267    40.9837   173.883      172.761   173.883      70.3614   173.883      
1 1 1 7   1  24 o 8  1.83142      0.412964    414.164   4.9626       230.541   4.9626       41.4947   -175.037     
1 1 1 7   3  0  o 6  46.6669      1.14358     1995.2    84.9092      1173.34   84.9092      369.007   -95.0908     
1 1 1 7   3  1  o 5  83.5071      2.63625     2393.95   44.3815      2059.23   44.3815      112.866   -135.618     
1 1 1 7   3  2  o 1  72.3989      2.86216     2476.59   -162.531     1921.09   -162.531     210.413   17.4687      
1 1 1 7   3  3  o 14 8.0997       0.481702    1077.19   91.7789      ?         ?            ?         ?            
1 1 1 7   3  4  o 16 103.005      2.90624     2831.42   133.635      2311.25   133.635      131.673   -46.3652     
1 1 1 7   3  5  f 0  20.9604      1.0965      1536.31   -34.9675     319.534   -34.9675     521.691   145.032      
1 1 1 7   3  6  o 8  25.7704      0.946939    636.525   99.0534      750.757   99.0534      98.868    99.0534      
1 1 1 7   3  7  o 14 8.84942      0.527249    1339.42   82.6507      730.738   -97.3493     939.37    -97.3493     
1 1 1 7   3  8  o 6  44.0565      1.75835     2015.02   102.775      1361.51   102.775      175.751   -77.2254     
1 1 1 7   3  9  f 0  2.80445      0.278646    751.652   40.101       230.788   -139.899     431.967   -139.899     
1 1 1 7   3  10 o 18 9.69974      0.537178    831.805   162.404      309.375   162.404      190.125   -17.5959     
1 1 1 7   3  11 o 9  14.4301      0.732672    113.829   -115.931     376.953   -115.931     142.249   -115.931     
1 1 1 7   3  12 o 9  16.4008      0.687222    108.827   151.442      187.787   151.442      50.2793   151.442      
1 1 1 7   3  13 o 6  15.9046      0.655086    938.469   5.17139      737.968   5.17139      10.4677   -174.829     
1 1 1 7   3  14 o 12 14.0896      0.935623    1198.35   -123.193     772.528   -123.193     115.546   56.8071      
1 1 1 7   3  15 o 16 22.2219      1.05174     1140.51   -136.664     1256.16   -136.664     128.101   -136.664     
1 1 1 7   3  16 o 16 36.5137      1.28361     950.388   5.3429       2087.6    5.3429       614.253   5.3429       
1 1 1 7   3  17 o 3  32.1681      1.23449     1539.81   95.6712      1570.47   95.6712      86.8747   95.6712      
1 1 1 7   3  18 o 7  35.4658      1.49192     1210.67   161.742      2036.38   161.742      472.024   161.742      
1 1 1 7   3  19 o 13 8.35447      0.684325    771.756   -164.207     217.818   -164.207     242.684   15.7935      
1 1 1 7   3  20 o 19 13.1156      0.821572    1039.62   -27.0579     936.173   -27.0579     7.70005   152.942      
1 1 1 7   3  21 o 18 16.4367      0.876363    569.363   -39.255      1445.22   -39.255      475.4     -39.255      
1 1 1 7   3  22 o 19 10.7232      0.71848     645.775   25.9969      1202.98   25.9969      342.582   25.9969      
1 1 1 7   3  23 o 18 6.09075      0.539031    375.967   13.3608      941.792   13.3608      325.94    13.3608      
1 1 1 7   5  0  o 7  10.4218      0.671873    400.292   -24.8668     50.6295   155.133      202.186   155.133      
1 1 1 7   5  1  o 4  36.9779      2.10727     1603.78   -36.6229     1245.24   -36.6229     83.5264   143.377      
1 1 1 7   5  2  o 6  6.48789      0.543136    1288.47   -2.18784     ?         ?            ?         ?            
1 1 1 7   5  3  o 8  72.4906      2.611       1725.8    -72.2095     2662.68   -72.2095     582.956   -72.2095     
1 1 1 7   5  4  o 11 1.44674      0.237767    615.388   151.354      473.631   -28.6457     501.486   -28.6457     
1 1 1 7   5  5  o 4  12.6379      0.702387    1071.53   114.089      166.361   -65.9108     540.962   -65.9108     
1 1 1 7   5  6  o 4  93.455       3.20575     2508.43   48.2013      2992.92   48.2013      430.74    48.2013      
1 1 1 7   5  7  f 0  12.9849      0.86782     1001.7    68.8783      225.514   68.8783      309.889   -111.122     
1 1 1 7   5  8  o 18 8.54176      0.500402    1302.04   163.603      274.595   163.603      405.807   -16.3971     
1 1 1 7   5  9  o 16 11.8486      0.590486    515.12    125.739      819.115   125.739      198.239   125.739      
1 1 1 7   5  10 o 3  0.600046     0.229895    329.986   -67.7426     ?         ?            ?         ?            
1 1 1 7   5  11 o 2  4.86361      0.389008    383.785   161.717      231.136   -18.2835     269.337   -18.2835     
1 1 1 7   5  12 o 6  1.81835      0.22909     284.354   -57.5859     ?         ?            ?         ?            
1 1 1 7   5  13 o 1  71.5117      2.33641     2781.88   6.27417      2179.67   6.27417      80.2615   -173.726     
1 1 1 7   5  14 o 1  10.3616      0.658741    401.901   92.9511      243.902   92.9511      54.4386   -87.0489     
1 1 1 7   5  15 o 13 1.23031      0.337402    663.709   77.9261      520.489   -102.074     560.041   -102.074     
1 1 1 7   5  16 o 6  17.5163      0.809989    1169.55   -103.196     1055.79   -103.196     2.80913   76.8041      
1 1 1 7   5  17 o 10 4.01663      0.482974    493.496   33.4981      68.8815   33.4981      188.215   -146.502     
1 1 1 7   5  18 o 13 27.3833      1.42125     1076.14   -144.475     1662.94   -144.475     342.618   -144.475     
1 1 1 7   5  19 o 1  22.7045      0.942048    1081.69   -65.9539     1268.16   -65.9539     137.818   -65.9539     
1 1 1 7   5  20 o 6  3.06536      0.638506    390.888   -89.2426     279.257   -89.2426     33.5508   90.7574      
1 1 1 7   5  21 o 17 0.446774     0.42771     439.507   120.172      164.447   -59.8281     261.944   -59.8281     
1 1 1 7   5  22 o 12 6.1067       0.540113    419.577   -50.0571     868.272   -50.0571     270.153   -50.0571     
1 1 1 7   5  23 o 7  9.54295      0.647674    406.362   7.24824      1296.82   7.24824      495.322   7.24824      
1 1 1 7   7  0  o 18 0.896047     0.219025    439.375   -113.036     307.752   66.9645      340.089   66.9645      
1 1 1 7   7  1  o 1  15.1973      0.825043    1265.82   57.0924      696.225   57.0924      187.9     -122.908     
1 1 1 7   7  2  o 13 13.907       1.00455     849.973   -134.81      818.681   -134.81      50.1242   -134.81      
1 1 1 7   7  3  o 10 14.6562      0.673312    1525.26   -47.7453     470.147   -47.7453     407.335   132.255      
1 1 1 7   7  4  o 5  5.59783      0.560209    723.576   132.552      101.223   -47.4476     353.697   -47.4476     
1 1 1 7   7  5  o 7  1.6995       0.256241    340.848   -113.004     ?         ?            ?         ?            
1 1 1 7   7  6  f 0  4.36616      0.39732     457.362   79.8599      20.3252   79.8599      177.711   -100.14      
1 1 1 7   7  7  o 18 1.63993      0.274855    1102.71   -1.61906     ?         ?            ?         ?            
1 1 1 7   7  8  o 5  4.38729      0.422598    1069.49   22.5772      25.1363   -157.423     442.005   -157.423     
1 1 1 7   7  9  o 6  4.66577      0.512588    270.006   -123.934     14.8203   -123.934     100.86    56.066       
1 1 1 7   7  10 o 6  2.67735      0.506117    557.17    45.2578      318.116   -134.742     385.457   -134.742     
1 1 1 7   7  11 o 3  8.91035      0.618138    976.408   -75.6326     373.389   -75.6326     221.689   104.367      
1 1 1 7   7  12 o 5  11.3592      0.659367    937.257   -104.25      400.04    -104.25      206.878   75.7497      
1 1 1 7   7  13 o 14 4.22717      0.457983    200.552   63.0507      7.20135   -116.949     93.447    -116.949     
1 1 1 7   7  14 o 13 69.7331      2.23192     1869.59   95.5194      2792.96   95.5194      547.692   95.5194      
1 1 1 7   7  15 f 0  4.02143      0.456612    654.365   92.5605      106.011   92.5605      243.119   -87.4395     
1 1 1 7   7  16 o 6  7.64739      0.832452    413.137   130.024      593.095   130.024      110.085   130.024      
1 1 1 7   7  17 o 16 6.22659      0.711755    760.84    -62.3705     503.367   -62.3705     95.3541   117.63       
1 1 1 7   7  18 o 18 11.115       0.645374    319.815   -42.9492     1150.29   -42.9492     428.719   -42.9492     
1 1 1 7   7  19 o 5  6.11152      0.560926    509.291   -110.089     773.24    -110.089     163.389   -110.089     
1 1 1 7   7  20 o 11 0.654769     0.323688    528.615   66.6854      ?         ?            ?         ?            
1 1 1 7   7  21 o 18 1.94746      0.391652    125.768   83.379       194.245   83.379       48.0436   83.379       
1 1 1 7   7  22 o 19 0.738115     0.444784    175.082   -149.737     60.9407   -149.737     35.5074   30.2631      
1 1 1 7   9  0  o 14 4.56572      0.43448     1032.52   -59.4622     8.66893   120.538      420.945   120.538      
1 1 1 7   9  1  o 12 10.017       0.615317    2141.88   -122.603     161.543   57.3966      944.004   57.3966      
1 1 1 7   9  2  o 8  8.86362      0.538128    539.983   178.206      594.95    178.206      80.3172   178.206      
1 1 1 7   9  3  o 3  6.83262      0.543542    701.657   -39.9564     9.73498   -39.9564     276.622   140.044      
1 1 1 7   9  4  o 18 15.6216      0.961076    993.714   -159.115     494.771   -159.115     150.716   20.885       
1 1 1 7   9  5  o 18 4.92908      0.340939    999.517   -131.64      9.29171   -131.64      396.435   48.3598      
1 1 1 7   9  6  o 7  5.94711      0.486602    712.01    -24.2051     122.676   -24.2051     226.405   155.795      
1 1 1 7   9  7  o 10 13.8473      0.696513    1385.57   -16.4347     399.894   -16.4347     368.265   163.565      
1 1 1 7   9  8  o 9  11.1926      0.950749    938.392   -116.652     665.822   -116.652     60.749    63.348       
1 1 1 7   9  9  o 3  5.73488      0.552154    515.319   -118.288     114.557   -118.288     165.061   61.7122      
1 1 1 7   9  10 o 15 13.8331      0.732879    744.608   -65.0017     818.834   -65.0017     79.265    -65.0017     
1 1 1 7   9  11 o 1  20.2173      1.09994     1158.23   -63.5904     1092.03   -63.5904     22.8236   -63.5904     
1 1 1 7   9  12 o 19 0.273028     0.232907    783.666   8.97048      ?         ?            ?         ?            
1 1 1 7   9  13 o 2  8.26421      0.53976     301.456   -179.855     267.329   -179.855     2.65224   0.145341     
1 1 1 7   9  14 o 4  0.59879      0.302169    583.298   -88.0067     484.174   91.9933      505.34    91.9933      
1 1 1 7   9  15 o 15 7.71033      0.607543    595.364   -81.4429     523.719   -81.4429     9.22749   98.5571      
1 1 1 7   9  16 o 10 2.18826      0.374344    439.607   149.492      23.7051   -30.508      213.54    -30.508      
1 1 1 7   9  17 o 18 0.0654579    0.251626    228.884   149.556      ?         ?            ?         ?            
1 1 1 7   9  18 o 17 1.84939      0.368682    277.957   -132.618     178.864   -132.618     26.8543   47.3823      
1 1 1 7   9  19 o 1  1.3261       0.379416    299.795   -52.7478     131.318   -52.7478     52.9998   127.252      
1 1 1 7   9  20 o 18 0.297661     0.378365    284.435   145.766      ?         ?            ?         ?            
1 1 1 7   11 0  f 0  12.6908      0.68518     1510.85   3.63572      359.829   3.63572      460.386   -176.364     
1 1 1 7   11 1  o 19 25.6436      1.33998     1559.77   -156.307     1217.87   -156.307     53.957    23.6933      
1 1 1 7   11 2  o 18 9.66172      0.660827    1226.57   43.2941      350.807   43.2941      349.014   -136.706     
1 1 1 7   11 3  o 16 1.51994      0.422226    488.266   30.9192      ?         ?            ?         ?            
1 1 1 7   11 4  o 8  6.35786      0.547502    898.1     26.5921      113.936   26.5921      335.018   -153.408     
1 1 1 7   11 5  o 11 8.37221      0.643278    1212.67   104.964      97.8826   104.964      487.277   -75.0359     
1 1 1 7   11 6  o 7  6.95268      0.540668    1150.38   61.2658      124.158   61.2658      453.013   -118.734     
1 1 1 7   11 7  o 9  12.8325      0.923524    851.679   -37.3814     784.637   -37.3814     7.30979   -37.3814     
1 1 1 7   11 8  o 16 21.126       0.917346    1567.31   -25.939      947.08    -25.939      238.096   154.061      
1 1 1 7   11 9  f 0  25.5909      1.29636     1677.02   -151.423     1158.07   -151.423     181.532   28.5771      
1 1 1 7   11 10 o 19 1.92217      0.303391    421.029   24.2443      167.399   -155.756     273.9     -155.756     
1 1 1 7   11 11 o 14 2.38608      0.601435    404.198   -37.3331     8.6138    -37.3331     178.1     142.667      
1 1 1 7   11 12 o 6  3.47578      0.463434    205.007   82.4788      177.902   82.4788      4.14293   -97.5212     
1 1 1 7   11 13 f 0  2.57149      0.588796    236.069   91.2333      135.982   91.2333      40.212    -88.7667     
1 1 1 7   11 14 o 9  0.44184      0.26941     411.615   -98.2312     293.062   81.7688      334.323   81.7688      
1 1 1 7   11 15 f 0  1.62723      0.332716    94.904    135.246      69.4827   135.246      6.95664   -44.7538     
1 1 1 7   11 16 o 8  1.52419      0.336022    230.014   -14.4262     4.26058   165.574      97.0664   165.574      
1 1 1 7   11 17 o 14 0.963795     0.361228    200.048   -131.603     10.1186   48.3973      84.0505   48.3973      
1 1 1 7   11 18 o 5  0.876837     0.378136    282.335   -126.247     92.9599   -126.247     61.6297   53.7531      
1 1 1 7   13 0  o 4  2.77528      0.418159    707.299   -154.378     133.183   25.6223      387.128   25.6223      
1 1 1 7   13 1  o 8  5.68563      0.638788    743.914   39.8498      264.363   39.8498      204.828   -140.15      
1 1 1 7   13 2  o 10 7.0468       0.566676    817.256   -140.5       416.567   -140.5       161.66    39.4999      
1 1 1 7   13 3  o 3  5.00207      0.453675    1227.54   -100.588     171.192   79.4122      640.604   79.4122      
1 1 1 7   13 4  o 9  3.26208      0.515149    329.858   125.142      65.7552   125.142      116.061   -54.858      
1 1 1 7   13 5  o 1  3.39855      0.527968    913.326   112.355      42.1362   -67.6451     433.104   -67.6451     
1 1 1 7   13 6  o 1  0.672191     0.263786    217.829   10.9119      139.185   -169.088     167.931   -169.088     
1 1 1 7   13 7  o 18 2.17322      0.418246    257.595   -23.2985     59.8109   156.702      146.586   156.702      
1 1 1 7   13 8  o 7  1.45746      0.384948    373.864   87.2811      172.498   -92.7189     256.619   -92.7189     
1 1 1 7   13 9  o 6  0.717427     0.29963     592.873   169.642      458.836   -10.3582     501.209   -10.3582     
1 1 1 7   13 10 o 8  0.960931     0.349956    416.038   -108.067     234.536   71.9335      307.791   71.9335      
1 1 1 7   13 11 o 9  2.41336      0.589563    493.328   -11.5424     127.445   -11.5424     158.206   168.458      
1 1 1 7   13 12 o 11 0.745875     0.306363    247.484   -124.02      109.606   55.9797      161.797   55.9797      
1 1 1 7   13 13 o 13 2.65864      0.429754    160.845   48.4711      273.3     48.4711      70.57     48.4711      
1 1 1 7   13 14 o 13 2.61668      0.439042    610.725   -138.544     261.503   -138.544     111.071   41.4562      
1 1 1 7   13 15 o 14 0.766986     0.409576    234.57    -147.808     42.3293   -147.808     69.674    32.1923      
1 1 1 7   13 16 o 9  0.135961     0.331516    212.666   -62.4602     66.2807   117.54       112.921   117.54       
1 1 1 7   15 0  o 17 6.17945      0.5962      605.159   164.843      578.066   164.843      11.8544   164.843      
1 1 1 7   15 1  o 19 3.35348      0.490069    534.965   144.793      299.805   144.793      94.9562   -35.2071     
1 1 1 7   15 2  o 15 5.23759      0.50694     308.691   87.6786      632.251   87.6786      175.1     87.6786      
1 1 1 7   15 3  o 7  0.835466     0.498977    151.84    149.422      47.7351   -30.5778     92.9593   -30.5778     
1 1 1 7   15 4  o 13 0.787423     0.363717    164.47    -161.973     53.4099   18.0268      100.979   18.0268      
1 1 1 7   15 5  o 18 0.894206     0.33177     398.98    110.679      97.2664   -69.3211     226.481   -69.3211     
1 1 1 7   15 6  o 8  3.77398      0.466864    461.848   24.8487      498.332   24.8487      47.3909   24.8487      
1 1 1 7   15 7  o 15 1.27473      0.356046    472.594   -13.8557     44.8793   -13.8557     178.476   166.144      
1 1 1 7   15 8  o 5  0.524194     0.25093     201.004   131.497      57.9054   -48.503      111.785   -48.503      
1 1 1 7   15 9  o 13 0.408683     0.297335    358.493   -157.807     140.746   22.1929      214.054   22.1929      
1 1 1 7   15 10 o 5  2.21461      0.361352    345.323   129.008      375.501   129.008      51.8436   129.008      
1 1 1 7   15 11 o 15 0.342904     0.347578    147.026   31.6967      28.384    -148.303     71.1246   -148.303     
1 1 1 7   15 12 o 3  2.65553      0.523683    430.008   -62.1067     462.185   -62.1067     69.5534   -62.1067     
1 1 1 7   17 0  o 10 0.268561     0.299828    115.025   97.5686      33.5079   -82.4314     61.5695   -82.4314     
1 1 1 7   17 1  o 15 0.655488     0.417925    324.023   -36.0512     14.1545   -36.0513     118.989   143.949      
1 1 1 7   17 2  o 15 0.247209     0.296697    286.127   24.4956      114.057   -155.504     167.979   -155.504     
1 1 1 7   17 3  o 17 1.38578      0.359664    74.5027   18.8295      129.301   18.8295      35.9382   18.8295      
1 1 1 7   17 4  f 0  1.78795      0.388928    145.82    90.8101      288.838   90.8101      88.7925   90.8101      
1 1 1 7   17 5  o 13 1.75052      0.59989     261.006   131.76       309.774   131.76       56.6411   131.76       
1 1 1 7   17 6  o 2  0.533289     0.41874     82.4173   -145.766     5.95636   34.2342      33.9715   34.2342      
1 1 1 8   0  0  o 5  6.68514      0.643605    382.791   2.10655e-12  137.229   -180         249.858   -180         
1 1 1 8   0  1  o 11 26.3043      1.23974     1136.06   0            304.705   180          694.432   180          
1 1 1 8   0  2  f 0  0.57327      0.195503    741.568   0            ?         ?            ?         ?            
1 1 1 8   0  3  o 14 0.191518     0.220274    14.9453   180          ?         ?            ?         ?            
1 1 1 8   0  4  o 7  86.09        3.33875     2049.61   180          2956.21   180          504.474   180          
1 1 1 8   0  5  f 0  47.2735      6.69324     631.006   0            1422.5    0            419.778   0            
1 1 1 8   0  6  o 16 153.316      6.08311     2740.02   180          4448.71   180          999.488   180          
1 1 1 8   0  7  o 6  6.88213      0.451076    936.389   180          587.971   2.70894e-15  701.469   1.13531e-15  
1 1 1 8   0  8  o 10 3.23427      0.502474    123.214   180          73.7036   3.03133e-15  89.6241   1.24643e-15  
1 1 1 8   0  9  o 18 110.966      4.54843     2036.22   0            4013.37   0            1142.32   0            
1 1 1 8   0  10 o 15 44.0408      1.90229     2184.07   180          1600.31   180          116.504   1.03399e-13  
1 1 1 8   0  11 o 6  0.705248     0.421261    367.023   0            ?         ?            ?         ?            
1 1 1 8   0  12 o 9  16.212       1.15342     537.598   180          1113.17   180          339.804   180          
1 1 1 8   0  13 o 17 35.657       1.87429     1635.04   180          1924.35   180          306.499   180          
1 1 1 8   0  14 o 18 5.23827      0.639229    109.252   0            33.4119   0            28.1179   180          
1 1 1 8   0  15 o 11 124.999      4.6201      3054.29   180          3593.07   180          485.486   180          
1 1 1 8   0  16 o 4  41.102       2.23032     1303.46   180          2383.92   180          608.675   180          
1 1 1 8   0  17 o 1  3.32006      0.920394    507.387   0            81.5372   180          271.19    180          
1 1 1 8   0  18 o 1  116.056      4.52807     2823.63   0            3393.53   0            421.605   0            
1 1 1 8   0  19 o 5  21.1812      1.72292     872.127   180          1497.23   180          353.395   180          
1 1 1 8   0  20 o 8  3.91907      0.577352    379.518   180          478.856   180          65.2798   180          
1 1 1 8   0  21 o 9  3.0277       0.720913    226.559   0            295.506   0            47.0007   0            
1 1 1 8   0  22 o 3  4.22736      1.14298     246.176   180          630.77    180          214.682   180          
1 1 1 8   0  23 o 18 0.798735     0.576563    212.028   0            ?         ?            ?         ?            
1 1 1 8   0  24 o 5  1.99609      0.56        383.147   180          115.388   1.07612e-14  203.87    3.04535e-15  
1 1 1 8   2  0  o 4  240.9        6.23834     3370.56   -15.0467     4661      -15.0467     704.527   -15.0467     
1 1 1 8   2  1  o 19 59.3841      1.91598     2012.62   -132.292     1720.44   -132.292     110.876   47.7081      
1 1 1 8   2  2  o 2  11.5454      0.696725    1164.76   85.0486      ?         ?            ?         ?            
1 1 1 8   2  3  f 0  87.9121      3.15242     2276.41   136.852      2507.78   136.852      171.94    136.852      
1 1 1 8   2  4  o 9  34.6932      1.45062     665.715   -40.8226     562.933   -40.8226     28.0702   139.177      
1 1 1 8   2  5  o 6  98.9851      2.96449     3048.24   61.6871      2366.31   61.6871      194.36    -118.313     
1 1 1 8   2  6  o 17 167.089      5.10612     3145.33   89.9698      3929.55   89.9698      581.814   89.9698      
1 1 1 8   2  7  o 13 234.156      6.80491     3467.11   132.157      5177.05   132.157      1093.66   132.157      
1 1 1 8   2  8  o 15 61.5473      1.97096     1864.79   -38.7006     2439.17   -38.7006     424.309   -38.7006     
1 1 1 8   2  9  o 17 31.5357      1.3541      1503.89   -126.104     1585.51   -126.104     156.722   -126.104     
1 1 1 8   2  10 o 1  26.0674      1.1183      1624.51   19.1024      1249.38   19.1024      52.9857   -160.898     
1 1 1 8   2  11 o 6  3.47822      0.271069    434.476   179.408      36.3488   179.408      159.38    -0.592399    
1 1 1 8   2  12 o 13 21.4514      0.969086    1066.98   -149.118     1243.66   -149.118     193.351   -149.118     
1 1 1 8   2  13 o 11 14.5781      0.718327    1241.76   61.2092      872.554   61.2092      63.3691   -118.791     
1 1 1 8   2  14 o 9  5.60842      0.431983    535.25    -161.892     134.729   -161.892     154.558   18.1078      
1 1 1 8   2  15 o 12 5.27626      0.44625     281.464   112.606      89.5727   -67.394      167.033   -67.394      
1 1 1 8   2  16 o 11 10.819       0.685315    926.886   -99.7858     377.13    -99.7858     228.771   80.2142      
1 1 1 8   2  17 o 4  4.19234      0.387672    358.182   -162.052     86.0178   17.9478      205.605   17.9478      
1 1 1 8   2  18 o 17 93.25        2.7972      1039.87   -7.6027      4048.94   -7.6027      1555.27   -7.6027      
1 1 1 8   2  19 o 12 21.8252      0.907767    1166.65   104.218      1366.65   104.218      153.126   104.218      
1 1 1 8   2  20 o 5  2.69943      0.353673    287.219   132.252      88.9666   -47.7483     176.185   -47.7483     
1 1 1 8   2  21 o 8  2.02324      0.465661    433.386   34.7368      207.417   -145.263     293.953   -145.263     
1 1 1 8   2  22 o 7  0.576381     0.363015    288.292   -166.564     ?         ?            ?         ?            
1 1 1 8   2  23 o 6  1.24341      0.436582    417.6     -53.8309     132.938   -53.8309     95.4973   126.169      
1 1 1 8   4  0  o 2  382.752      11.2228     4301.6    -45.624      6086.46   -45.624      1063.71   -45.624      
1 1 1 8   4  1  o 12 49.8929      1.46112     2924.25   91.9009      555.684   91.9009      1060.51   -88.0991     
1 1 1 8   4  2  o 18 22.9714      0.979426    571.279   82.9802      65.2043   82.9802      226.016   -97.0198     
1 1 1 8   4  3  o 9  56.2797      1.51521     1204.64   10.0318      1924.06   10.0318      424.821   10.0318      
1 1 1 8   4  4  o 10 118.691      3.31432     3155.35   -75.6927     2947.25   -75.6927     89.3702   -75.6927     
1 1 1 8   4  5  o 15 21.9676      0.853246    621.552   -145.673     268.577   34.3272      403.071   34.3272      
1 1 1 8   4  6  o 9  63.3088      2.12214     1811.95   -63.1934     2373.56   -63.1934     411.157   -63.1934     
1 1 1 8   4  7  o 14 74.558       2.47136     2327.28   -0.820023    2466.31   -0.820023    243.854   -0.820023    
1 1 1 8   4  8  o 6  8.93768      0.518197    1429.69   3.4466       96.7934   3.4466       554.516   -176.553     
1 1 1 8   4  9  o 15 36.0401      1.53836     1357.68   62.9269      1995.28   62.9269      432.799   62.9269      
1 1 1 8   4  10 o 13 5.72682      0.460202    946.509   42.6044      157.627   42.6044      307.596   -137.396     
1 1 1 8   4  11 o 12 1.16151      0.2083      641.718   -14.5212     ?         ?            ?         ?            
1 1 1 8   4  12 o 13 11.3603      0.624961    1285.72   -100.474     385.595   -100.474     323.727   79.5261      
1 1 1 8   4  13 o 5  56.6155      2.01511     1575.01   -161.773     2663.67   -161.773     683.309   -161.773     
1 1 1 8   4  14 o 1  38.4043      1.52958     1579.6    48.7454      1879.14   48.7454      260.745   48.7454      
1 1 1 8   4  15 o 15 31.6965      1.48998     1175.14   -105.108     1361.63   -105.108     155.575   -105.108     
1 1 1 8   4  16 o 2  20.0372      1.17927     669.838   -33.7985     1465.49   -33.7985     428.595   -33.7985     
1 1 1 8   4  17 o 2  6.20145      0.43808     554.446   -124.773     425.066   -124.773     38.086    55.2275      
1 1 1 8   4  18 o 19 15.2062      0.752503    324.852   103.371      1255.12   103.371      480.67    103.371      
1 1 1 8   4  19 o 2  27.2833      1.50499     1155.89   -111.387     1705.98   -111.387     323.282   -111.387     
1 1 1 8   4  20 o 9  7.72206      0.649094    390.152   62.5225      893.272   62.5225      270.448   62.5225      
1 1 1 8   4  21 o 2  5.60036      0.565066    285.775   -31.467      710.552   -31.467      235.404   -31.467      
1 1 1 8   4  22 o 19 1.43387      0.447901    159.318   102.125      130.473   102.125      2.41183   102.125      
1 1 1 8   4  23 o 19 1.58321      0.381196    257.541   0.593702     52.7475   -179.406     123.377   -179.406     
1 1 1 8   6  0  o 19 7.57578      0.623134    441.889   42.441       35.7625   -137.559     207.412   -137.559     
1 1 1 8   6  1  o 7  20.3977      0.843888    646.714   49.8629      589.361   49.8629      17.6568   49.8629      
1 1 1 8   6  2  o 18 47.9521      2.20518     1968.12   -177.92      1764.02   -177.92      40.928    -177.92      
1 1 1 8   6  3  o 19 18.8241      0.633606    576.591   -4.6498      572.383   -4.6498      40.5122   -4.6498      
1 1 1 8   6  4  o 1  8.15622      0.415328    1797.25   -40.43       1194.77   139.57       1360.48   139.57       
1 1 1 8   6  5  o 12 41.4193      1.67452     1627.39   -90.8861     1715.12   -90.8861     169.942   -90.8861     
1 1 1 8   6  6  o 8  3.26692      0.375731    1653.17   -88.1616     1116.34   91.8384      1251.29   91.8384      
1 1 1 8   6  7  o 2  21.457       0.886012    862.804   77.4466      1143.85   77.4466      214.46    77.4466      
1 1 1 8   6  8  o 4  14.5904      0.652497    1449.39   56.5188      338.013   56.5188      422.415   -123.481     
1 1 1 8   6  9  o 11 32.6406      1.46261     550.712   -145.655     2142.99   -145.655     849.866   -145.655     
1 1 1 8   6  10 o 17 27.8705      1.18886     1008.91   -73.3289     1652.08   -73.3289     421.704   -73.3289     
1 1 1 8   6  11 o 1  0.816893     0.208043    1020.42   116.982      ?         ?            ?         ?            
1 1 1 8   6  12 o 17 2.1146       0.27442     960.692   32.2036      461.517   -147.796     633.598   -147.796     
1 1 1 8   6  13 o 13 26.3807      1.19466     1959.1    -149.848     969.84    -149.848     370.293   30.1523      
1 1 1 8   6  14 o 7  30.774       1.12642     1272.66   9.29005      1512.44   9.29005      183.41    9.29005      
1 1 1 8   6  15 o 7  3.62557      0.390701    795.341   -8.7554      196.258   171.245      459.301   171.245      
1 1 1 8   6  16 o 12 4.67158      0.708469    457.672   42.648       204.126   42.648       104.652   -137.352     
1 1 1 8   6  17 o 16 21.0006      1.28309     938.978   147.277      1393.58   147.277      271.933   147.277      
1 1 1 8   6  18 o 2  3.35237      0.545174    605.379   -65.9951     221.915   -65.9951     166.496   114.005      
1 1 1 8   6  19 o 12 8.98069      0.59116     268.383   145.229      1005.01   145.229      381.09    145.229      
1 1 1 8   6  20 o 19 0.861699     0.333599    27.9301   136.778      7.70027   -43.222      15.6518   -43.222      
1 1 1 8   6  21 o 5  3.24154      0.471735    567.3     -135.312     442.891   -135.312     3.24742   44.688       
1 1 1 8   6  22 o 16 -0.116537    0.286727    153.058   7.40708      101.659   -172.593     109.084   -172.593     
1 1 1 8   8  0  o 12 7.30433      0.432939    1405.52   129.023      34.1345   129.023      566.073   -50.9771     
1 1 1 8   8  1  o 1  3.8201       0.32586     1187.01   37.9227      464.417   -142.077     723.831   -142.077     
1 1 1 8   8  2  o 13 9.13505      0.603591    1136.34   109.334      312.836   109.334      312.482   -70.6664     
1 1 1 8   8  3  o 15 3.30562      0.359741    834.703   137.137      88.0781   -42.8631     386.517   -42.8631     
1 1 1 8   8  4  o 3  13.6926      1.12322     1583.16   -104.614     399.201   -104.614     445.172   75.3859      
1 1 1 8   8  5  o 10 8.05282      0.503442    1243.64   138.629      195.365   -41.3705     600.087   -41.3705     
1 1 1 8   8  6  o 2  14.1324      1.02525     732.754   99.5256      984.323   99.5256      198.082   99.5256      
1 1 1 8   8  7  o 11 10.0046      0.536668    1550.56   -137.945     54.0705   42.0545      648.437   42.0545      
1 1 1 8   8  8  o 10 1.89352      0.293996    978.405   37.038       585.049   -142.962     687.707   -142.962     
1 1 1 8   8  9  o 12 22.1724      1.17099     1134.6    78.6101      1347.86   78.6101      206.526   78.6101      
1 1 1 8   8  10 o 7  2.94036      0.621794    296.273   91.6839      51.1549   -88.3161     151.359   -88.3161     
1 1 1 8   8  11 o 11 16.452       0.965531    1048.94   -178.811     660.442   -178.811     130.125   1.18911      
1 1 1 8   8  12 o 3  19.7415      0.964374    1640.73   178.689      742.905   178.689      366.93    -1.3111      
1 1 1 8   8  13 f 0  1.31948      0.270568    142.922   70.1456      108.748   -109.854     119.278   -109.854     
1 1 1 8   8  14 o 2  0.492276     0.251231    309.126   -179.803     ?         ?            ?         ?            
1 1 1 8   8  15 o 3  4.52235      0.547139    526.291   169.016      127.003   -10.9844     301.035   -10.9844     
1 1 1 8   8  16 o 18 0.174874     0.307078    445.696   -47.7605     ?         ?            ?         ?            
1 1 1 8   8  17 o 4  0.738646     0.416562    150.191   -14.5621     104.24    165.438      120.969   165.438      
1 1 1 8   8  18 o 17 4.24721      0.487667    730.195   141.619      379.917   141.619      133.29    -38.381      
1 1 1 8   8  19 o 11 8.48549      0.621689    439.266   -110.734     1006.77   -110.734     322.673   -110.734     
1 1 1 8   8  20 o 18 1.90884      0.370717    394.418   -28.3729     257.171   -28.3729     26.3076   151.627      
1 1 1 8   8  21 o 1  2.51667      0.516539    135.074   139.535      452.418   139.535      175.448   139.535      
1 1 1 8   10 0  o 17 1.88657      0.273217    588.974   -81.5261     231.924   98.4739      353.473   98.4739      
1 1 1 8   10 1  o 6  11.8068      0.725971    1568.82   35.3627      440.827   35.3627      413.133   -144.637     
1 1 1 8   10 2  o 16 19.4729      0.968118    1370.36   65.7611      1053.28   65.7611      28.6217   -114.239     
1 1 1 8   10 3  o 1  0.661268     0.209297    576.378   -124.809     ?         ?            ?         ?            
1 1 1 8   10 4  o 3  10.2363      0.617803    1825.75   -174.2       60.3573   -174.2       721.458   5.80002      
1 1 1 8   10 5  o 9  3.02331      0.417113    861.416   84.0716      652.665   -95.9284     686.065   -95.9284     
1 1 1 8   10 6  o 18 4.07591      0.43761     969.442   -60.2982     130.65    119.702      477.813   119.702      
1 1 1 8   10 7  o 8  6.79179      0.684288    739.839   163.492      88.8914   163.492      277.209   -16.5082     
1 1 1 8   10 8  o 19 27.9677      1.53366     1222.71   44.4404      1552.48   44.4404      233.391   44.4404      
1 1 1 8   10 9  o 5  6.08305      0.548966    622.454   27.3575      177.773   27.3575      191.844   -152.643     
1 1 1 8   10 10 o 11 20.4922      1.0547      1394.23   -170.448     979.875   -170.448     143.109   9.55206      
1 1 1 8   10 11 o 17 6.93334      0.599996    494.785   96.276       474.917   96.276       13.2306   96.276       
1 1 1 8   10 12 o 15 10.2656      0.667502    950.049   84.9225      580.288   84.9225      138.582   -95.0775     
1 1 1 8   10 13 o 18 3.69668      0.460951    692.091   45.2878      68.6472   -134.712     347.38    -134.712     
1 1 1 8   10 14 o 15 3.61107      0.49494     352.424   21.5657      302.745   21.5657      9.70001   -158.434     
1 1 1 8   10 15 o 17 1.09669      0.304037    364.898   122.955      66.8205   -57.0446     200.52    -57.0446     
1 1 1 8   10 16 o 16 0.193576     0.298833    537.96    -63.7829     ?         ?            ?         ?            
1 1 1 8   10 17 f 0  0.481914     0.287281    79.9303   123.413      28.0533   -56.5871     47.2126   -56.5871     
1 1 1 8   10 18 o 5  1.2709       0.33164     285.73    149.806      88.778    149.806      68.5214   -30.194      
1 1 1 8   10 19 o 13 0.980858     0.605021    166.515   160.719      87.2982   160.719      20.0146   -19.281      
1 1 1 8   12 0  o 3  5.00432      0.702866    875.829   -175.936     13.4063   4.06369      400.454   4.06369      
1 1 1 8   12 1  o 10 12.0059      0.642458    1714.21   -18.8883     165.134   -18.8883     689.142   161.112      
1 1 1 8   12 2  o 3  8.79673      0.648854    787.56    -51.6216     393.522   -51.6216     158.665   128.378      
1 1 1 8   12 3  o 3  0.566391     0.246977    155.16    -150.276     129.768   29.7241      135.112   29.7241      
1 1 1 8   12 4  o 17 2.21446      0.303872    1237.43   138.849      ?         ?            ?         ?            
1 1 1 8   12 5  o 13 27.5234      1.25483     878.088   32.5831      1814.44   32.5831      508.452   32.5831      
1 1 1 8   12 6  o 19 13.1904      1.02539     483.976   159.869      1006.87   159.869      283.895   159.869      
1 1 1 8   12 7  o 5  3.87915      0.353993    543.499   106.748      132.267   106.748      179.726   -73.2519     
1 1 1 8   12 8  o 11 7.2503       0.540262    812.952   172.529      502.451   172.529      115.612   -7.47089     
1 1 1 8   12 9  f 0  0.493519     0.294622    945.939   -50.7818     ?         ?            ?         ?            
1 1 1 8   12 10 o 19 1.79085      0.395386    819.909   86.49        219.818   -93.51       482.376   -93.51       
1 1 1 8   12 11 o 17 0.770655     0.350165    169.258   72.98        ?         ?            ?         ?            
1 1 1 8   12 12 o 4  3.05325      0.554787    502.783   9.8026       271.061   9.8026       94.6761   -170.197     
1 1 1 8   12 13 o 13 2.88058      0.455814    318.217   -119.634     289.898   -119.634     2.68139   -119.634     
1 1 1 8   12 14 o 8  0.518637     0.284956    267.397   -152.403     ?         ?            ?         ?            
1 1 1 8   12 15 o 4  0.0676147    0.329282    35.627    105.766      26.1498   -74.234      27.4156   -74.234      
1 1 1 8   12 16 o 3  1.81467      0.355907    237.543   143.208      287.694   143.208      50.8971   143.208      
1 1 1 8   12 17 o 14 1.2422       0.46173     140.643   -43.4794     179.697   -43.4794     36.8503   -43.4794     
1 1 1 8   14 0  o 16 1.42423      0.325284    364.698   -72.9174     103.118   107.083      216.688   107.083      
1 1 1 8   14 1  o 19 5.94948      0.562174    440.877   41.0279      516.05    41.0279      58.282    41.0279      
1 1 1 8   14 2  o 8  1.42354      0.472852    217.582   -133.952     142.453   46.0483      169.939   46.0483      
1 1 1 8   14 3  o 12 3.5963       0.428852    771.857   -45.5837     94.5496   -45.5837     303.696   134.416      
1 1 1 8   14 4  o 16 1.27312      0.378928    290.988   -66.5926     75.6499   113.407      170.562   113.407      
1 1 1 8   14 5  o 13 2.34916      0.406532    246.7     -168.049     118.139   -168.049     53.8656   11.9505      
1 1 1 8   14 6  o 14 10.6537      0.678573    790.747   140.289      940.62    140.289      107.481   140.289      
1 1 1 8   14 7  o 8  8.3597       0.662678    460.693   -22.2983     940.385   -22.2983     259.267   -22.2983     
1 1 1 8   14 8  o 18 0.300597     0.287894    233.714   -0.0767398   155.464   179.923      183.52    179.923      
1 1 1 8   14 9  o 2  1.34603      0.347315    249.049   97.7615      19.9427   97.7615      99.9684   -82.2385     
1 1 1 8   14 10 o 3  0.0364521    0.298797    427.266   116.408      298.279   -63.5919     330.655   -63.5919     
1 1 1 8   14 11 o 4  0.881175     0.399586    173.651   -30.5383     38.9662   149.462      90.2371   149.462      
1 1 1 8   14 12 o 10 3.69097      0.477053    223.046   122.301      590.877   122.301      207.186   122.301      
1 1 1 8   14 13 o 18 1.60655      0.413776    232.728   -93.2129     295.304   -93.2129     57.2683   -93.2129     
1 1 1 8   14 14 o 9  0.229664     0.332247    349.24    45.6979      118.759   -134.302     190.46    -134.302     
1 1 1 8   16 0  o 12 0.650686     0.309707    179.712   121.293      37.0778   -58.7066     93.9467   -58.7066     
1 1 1 8   16 1  o 19 0.938578     0.376504    269.848   7.61072      19.521    7.61072      103.047   -172.389     
1 1 1 8   16 2  f 0  0.88195      0.429781    380.25    -157.819     23.4053   22.1809      169.463   22.1809      
1 1 1 8   16 3  o 7  -0.245474    0.460909    166.678   -138.041     122.87    41.9587      129.838   41.9587      
1 1 1 8   16 4  o 1  3.15732      0.546421    289.546   -47.3419     506.936   -47.3419     136.185   -47.3419     
1 1 1 8   16 5  o 4  0.215712     0.325591    269.586   122.273      207.043   -57.7274     211.276   -57.7274     
1 1 1 8   16 6  o 10 1.42244      0.390078    465.8     58.258       152.863   58.258       107.641   -121.742     
1 1 1 8   16 7  o 14 0.756622     0.327409    552.31    26.3161      135.518   -153.684     283.96    -153.684     
1 1 1 8   16 8  o 1  -0.0605348   0.248755    81.0866   -158.603     50.0574   21.3971      56.3501   21.3971      
1 1 1 8   16 9  o 14 0.053448     0.266421    425.807   -119.188     187.149   60.8124      254.174   60.8124      
1 1 1 9   1  0  o 15 85.0578      2.04132     2256.8    -52.7698     2319.78   -52.7698     77.5461   -52.7698     
1 1 1 9   1  1  o 7  109.669      2.46231     2069.91   78.7105      3431.61   78.7105      719.26    78.7105      
1 1 1 9   1  2  o 19 51.3174      1.44832     1103.43   -137.767     1855.6    -137.767     395.391   -137.767     
1 1 1 9   1  3  o 18 52.9399      1.74158     1872.95   -12.6514     1617.35   -12.6514     88.9075   167.349      
1 1 1 9   1  4  o 15 110.594      3.14788     2135.18   129.742      3199.24   129.742      596.193   129.742      
1 1 1 9   1  5  o 2  94.4205      3.00532     2276.65   -2.98726     2801.41   -2.98726     361.646   -2.98726     
1 1 1 9   1  6  o 16 38.5222      1.68505     1128.07   -48.0286     1420.31   -48.0286     210.714   -48.0286     
1 1 1 9   1  7  o 3  80.1716      2.53521     1339.66   175.052      3155.64   175.052      998.131   175.052      
1 1 1 9   1  8  o 19 118.532      3.15447     2648.93   105.4        3520.94   105.4        628.924   105.4        
1 1 1 9   1  9  o 16 97.3134      3.78873     3109.83   121.002      1850.19   121.002      392.211   -58.9978     
1 1 1 9   1  10 o 14 5.73522      0.532559    670.978   161.955      230.815   -18.0453     396.012   -18.0453     
1 1 1 9   1  11 o 19 14.36        0.711728    552.122   136.736      1064.02   136.736      305.756   136.736      
1 1 1 9   1  12 f 0  22.9521      0.962216    1004.48   164.364      1564.77   164.364      378.482   164.364      
1 1 1 9   1  13 o 1  3.71973      0.367304    365.989   26.3734      32.2164   26.3734      130.941   -153.627     
1 1 1 9   1  14 o 13 1.48112      0.275132    669.178   88.2714      ?         ?            ?         ?            
1 1 1 9   1  15 o 12 5.0686       0.527531    674.593   -93.413      55.2714   86.587       319.543   86.587       
1 1 1 9   1  16 o 2  45.5568      1.76973     1339.5    168.572      2277.49   168.572      536.659   168.572      
1 1 1 9   1  17 o 12 38.9073      1.62123     1680.62   -144.222     1772.82   -144.222     123.331   -144.222     
1 1 1 9   1  18 o 16 33.3484      1.21166     60.5212   -67.8775     754.591   -67.8775     349.983   -67.8775     
1 1 1 9   1  19 o 15 19.4877      0.808617    926.36    -11.3421     1444.67   -11.3421     301.674   -11.3421     
1 1 1 9   1  20 o 11 7.229        0.61424     613.954   61.5945      555.405   61.5945      3.92102   -118.405     
1 1 1 9   1  21 o 19 15.3539      0.93549     372.196   -147.408     1488.67   -147.408     580.423   -147.408     
1 1 1 9   1  22 o 2  5.14953      0.543996    142.723   -14.9758     418.723   -14.9758     151.543   -14.9758     
1 1 1 9   1  23 o 9  2.32033      0.529743    51.3266   130.892      131.312   130.892      45.7195   130.892      
1 1 1 9   3  0  o 13 77.0599      2.73711     1801.45   -146.882     2329.85   -146.882     307.911   -146.882     
1 1 1 9   3  1  o 1  220.149      6.38172     4741.57   -76.6379     3543.39   -76.6379     472.745   103.362      
1 1 1 9   3  2  o 8  55.0959      1.98064     1285.44   56.5675      854.403   56.5675      174.544   -123.433     
1 1 1 9   3  3  o 2  48.738       1.42619     1442.48   94.4464      1751.09   94.4464      212.108   94.4464      
1 1 1 9   3  4  o 4  29.8686      1.20768     598.403   -128.091     426.861   -128.091     55.7176   51.9086      
1 1 1 9   3  5  o 7  183.82       5.73262     3597.67   -128.975     3810.33   -128.975     322.992   -128.975     
1 1 1 9   3  6  o 16 50.75        2.05962     2112.51   80.9174      1496.02   80.9174      164.719   -99.0826     
1 1 1 9   3  7  o 10 146.943      4.56914     3178.66   -100.413     3822.56   -100.413     552.949   -100.413     
1 1 1 9   3  8  o 14 14.2604      0.922515    1293.37   -87.4246     479.002   -87.4246     309.058   92.5754      
1 1 1 9   3  9  o 18 9.62919      0.599582    335.595   -66.9925     378.436   -66.9925     48.3654   -66.9925     
1 1 1 9   3  10 f 0  25.258       1.05693     1682.68   -178.247     1233.34   -178.247     77.361    1.75298      
1 1 1 9   3  11 o 4  1.88311      0.2516      897.199   -50.1885     ?         ?            ?         ?            
1 1 1 9   3  12 o 10 13.8981      0.603062    606.138   46.9588      779.307   46.9588      146.817   46.9588      
1 1 1 9   3  13 o 11 8.59079      0.625277    520.92    -172.754     371.9     -172.754     25.8726   7.24574      
1 1 1 9   3  14 o 12 11.4106      0.601304    1140.58   -27.2099     416.965   -27.2099     273.771   152.79       
1 1 1 9   3  15 o 19 28.1277      1.08669     2277.62   75.6201      654.899   75.6201      679.33    -104.38      
1 1 1 9   3  16 o 15 60.0089      2.12984     1537.07   -136.622     2500.77   -136.622     553.802   -136.622     
1 1 1 9   3  17 o 1  73.3709      2.53804     1846.62   -96.3714     2859.19   -96.3714     593.19    -96.3714     
1 1 1 9   3  18 o 4  27.937       1.12789     900.833   -52.1659     1871.87   -52.1659     529.355   -52.1659     
1 1 1 9   3  19 o 18 15.0928      0.965799    1223.15   168.618      914.565   168.618      101.54    -11.3824     
1 1 1 9   3  20 o 5  29.5023      1.44495     845.258   -167.845     2131.1    -167.845     680.394   -167.845     
1 1 1 9   3  21 o 5  5.75372      0.58793     608.126   136.801      631.246   136.801      55.5801   136.801      
1 1 1 9   3  22 o 19 4.53289      0.49808     350.769   -134.459     598.82    -134.459     160.004   -134.459     
1 1 1 9   3  23 o 13 2.61732      0.446339    662.586   -139.003     263.188   -139.003     121.178   40.9973      
1 1 1 9   5  0  o 10 3.66328      0.394895    608.017   -51.4805     365.926   128.52       449.991   128.52       
1 1 1 9   5  1  o 11 26.9956      1.53308     1564.86   -75.4932     682.582   -75.4932     343.565   104.507      
1 1 1 9   5  2  o 7  126.472      3.36952     3475.16   23.5321      2957.71   23.5321      32.6456   -156.468     
1 1 1 9   5  3  o 8  15.4086      0.666046    595.371   110.972      7.82749   110.972      253.133   -69.0276     
1 1 1 9   5  4  o 5  38.2462      1.49833     819.845   65.0524      1780.94   65.0524      538.96    65.0524      
1 1 1 9   5  5  o 14 63.5398      1.94747     2563.73   134.698      1753.9    134.698      216.002   -45.3019     
1 1 1 9   5  6  o 7  4.35607      0.456945    1200.07   -103.829     676.312   76.1714      846.988   76.1714      
1 1 1 9   5  7  f 0  14.3404      0.694903    1616.16   -28.6686     434.894   -28.6686     462.466   151.331      
1 1 1 9   5  8  o 7  27.6192      1.39055     1749.38   -113.38      1305.49   -113.38      73.8315   66.62        
1 1 1 9   5  9  o 10 39.9947      1.32738     779.101   160.675      2417.27   160.675      890.564   160.675      
1 1 1 9   5  10 o 4  7.78945      0.573863    738.53    111.969      453.109   111.969      70.4146   -68.0312     
1 1 1 9   5  11 o 10 9.17217      0.478898    779.939   -128.689     532.344   -128.689     46.6829   51.3114      
1 1 1 9   5  12 o 12 11.5138      0.954754    874.97    -87.924      564.623   -87.924      75.3484   92.076       
1 1 1 9   5  13 o 19 10.799       0.682783    794.767   80.7438      452.076   80.7438      111.414   -99.2562     
1 1 1 9   5  14 o 9  7.40651      0.582129    804.008   -176.049     308.014   -176.049     201.663   3.95128      
1 1 1 9   5  15 o 12 15.5634      0.849964    832.546   -99.3652     1074.23   -99.3652     159.99    -99.3652     
1 1 1 9   5  16 o 13 2.93346      0.361897    241.409   111.692      13.6241   -68.3077     116.23    -68.3077     
1 1 1 9   5  17 o 9  15.6963      0.720202    467.693   50.6853      1344.12   50.6853      461.062   50.6853      
1 1 1 9   5  18 o 7  4.63643      0.521698    487.139   154.537      386.017   -25.463      414.923   -25.463      
1 1 1 9   5  19 o 19 1.59559      0.416919    620.177   130.452      120.553   -49.5482     344.323   -49.5482     
1 1 1 9   5  20 o 8  1.73895      0.428981    232.565   -144.111     64.4709   -144.111     69.4583   35.8892      
1 1 1 9   5  21 o 12 15.2461      1.19098     977.36    18.705       1256.61   18.705       233.51    18.705       
1 1 1 9   5  22 o 10 0.833807     0.38004     498.389   166.251      ?         ?            ?         ?            
1 1 1 9   7  0  o 8  13.7855      2.84467     451.489   -70.247      550.355   -70.247      84.1249   -70.247      
1 1 1 9   7  1  o 17 12.7108      0.68172     815.479   175.267      217.05    175.267      236.195   -4.73305     
1 1 1 9   7  2  o 17 1.99489      0.316232    488.667   118.128      ?         ?            ?         ?            
1 1 1 9   7  3  o 1  5.40834      0.424945    1157.07   -24.1701     408.414   155.83       690.308   155.83       
1 1 1 9   7  4  o 10 4.20618      0.394401    340.487   120.069      28.8794   120.069      127.723   -59.9311     
1 1 1 9   7  5  o 2  26.3356      1.10092     1476.73   46.7103      1410.27   46.7103      94.079    46.7103      
1 1 1 9   7  6  o 2  15.4714      0.796376    658.701   -42.4265     1178.18   -42.4265     319.655   -42.4265     
1 1 1 9   7  7  o 12 2.13069      0.339167    997.696   52.5563      403.272   -127.444     604.843   -127.444     
1 1 1 9   7  8  o 4  9.52978      0.589517    388.993   -110.621     273.601   -110.621     19.1485   69.3792      
1 1 1 9   7  9  o 8  3.29818      0.395848    1029.9    103.9        345.323   -76.0998     586.443   -76.0998     
1 1 1 9   7  10 f 0  22.4975      0.891388    808.166   69.6621      1401.77   69.6621      370.553   69.6621      
1 1 1 9   7  11 o 1  8.08065      0.630604    517.96    36.5825      176.631   36.5825      130.193   -143.417     
1 1 1 9   7  12 o 1  19.1208      0.909806    401.482   -175.826     939.784   -175.826     294.148   -175.826     
1 1 1 9   7  13 o 14 10.0907      0.571316    1088.13   39.0952      479.615   39.0952      249.966   -140.905     
1 1 1 9   7  14 o 10 2.69553      0.375051    326.158   -3.04333     104.678   176.957      200.458   176.957      
1 1 1 9   7  15 o 18 1.05551      0.314824    470.348   44.723       ?         ?            ?         ?            
1 1 1 9   7  16 o 13 10.1973      1.34817     432.379   -81.9707     829.481   -81.9707     219.379   -81.9707     
1 1 1 9   7  17 o 6  4.67164      0.485726    305.295   -31.9347     421.808   -31.9347     71.2944   -31.9347     
1 1 1 9   7  18 o 8  23.3713      1.29183     944.767   69.1592      1718.38   69.1592      428.253   69.1592      
1 1 1 9   7  19 o 8  3.71084      0.550049    484.248   164.926      451.183   164.926      16.2448   164.926      
1 1 1 9   7  20 o 10 0.719584     0.328218    399.209   -92.0385     144.048   87.9615      232.402   87.9615      
1 1 1 9   7  21 o 1  0.673711     0.420758    229.417   11.6021      38.3768   -168.398     108.146   -168.398     
1 1 1 9   9  0  o 19 4.66813      1.24917     417.983   26.603       126.116   26.603       105.261   -153.397     
1 1 1 9   9  1  o 17 0.7074       0.175217    933.12    121.479      ?         ?            ?         ?            
1 1 1 9   9  2  o 12 8.27153      0.575455    1258.71   -14.5505     259.068   -14.5505     375.839   165.449      
1 1 1 9   9  3  o 12 4.63203      0.522777    746.581   -159.805     0.686246  -159.805     298.881   20.1949      
1 1 1 9   9  4  f 0  6.10846      0.532117    639.055   21.411       42.2483   21.411       234.944   -158.589     
1 1 1 9   9  5  o 17 9.09114      0.562007    1237.24   -31.402      311.823   -31.402      341.504   148.598      
1 1 1 9   9  6  o 4  6.37648      0.55439     1620.75   171.654      656.951   -8.34593     986.101   -8.34593     
1 1 1 9   9  7  o 13 0.764508     0.326733    209.752   25.3226      ?         ?            ?         ?            
1 1 1 9   9  8  o 14 9.30804      0.719383    783.868   128.724      362.403   128.724      150.157   -51.2763     
1 1 1 9   9  9  o 16 13.222       1.29893     841.846   -110.182     681.216   -110.182     25.405    69.8184      
1 1 1 9   9  10 o 5  39.2372      1.75752     1458.6    79.6337      1959.92   79.6337      329.487   79.6337      
1 1 1 9   9  11 o 17 13.4943      0.750904    1108.66   117.962      293.491   117.962      355.309   -62.0376     
1 1 1 9   9  12 o 16 21.7126      0.984139    1619.29   -77.5164     935.569   -77.5164     267.215   102.484      
1 1 1 9   9  13 o 9  0.535819     0.325891    131.084   -86.418      ?         ?            ?         ?            
1 1 1 9   9  14 o 5  2.43662      0.468516    171.793   152.258      57.8919   -27.7421     106.555   -27.7421     
1 1 1 9   9  15 o 2  1.7422       0.378442    414.797   -0.372003    76.0111   179.628      227.357   179.628      
1 1 1 9   9  16 o 19 0.799581     0.314274    106.045   -125.09      ?         ?            ?         ?            
1 1 1 9   9  17 o 15 2.12807      0.382296    636.621   -16.5133     86.3771   -16.5133     238.57    163.487      
1 1 1 9   9  18 o 14 2.2751       0.439343    127.064   -23.8544     138.846   -23.8544     16.9804   -23.8544     
1 1 1 9   9  19 o 10 0.878428     0.348361    299.973   94.0004      15.7553   94.0004      110.211   -85.9996     
1 1 1 9   9  20 o 17 1.31365      0.502966    232.399   -124.475     211.786   -124.475     17.9636   -124.475     
1 1 1 9   11 0  o 9  29.2186      1.12429     1739.99   95.7568      1167.16   95.7568      157.505   -84.2432     
1 1 1 9   11 1  o 18 11.6125      0.788526    499.89    -161.874     470.777   -161.874     21.8082   -161.874     
1 1 1 9   11 2  o 10 22.9576      1.16186     1386.34   -123.328     1166.96   -123.328     12.5719   56.6722      
1 1 1 9   11 3  o 6  6.97449      0.512164    1206.19   -95.8029     34.0871   -95.8029     506.33    84.1971      
1 1 1 9   11 4  o 19 12.7429      0.814885    1851.97   -33.2855     100.364   -33.2855     762.629   146.715      
1 1 1 9   11 5  o 9  11.9532      0.725688    975.292   -61.7804     627.904   -61.7804     119.423   118.22       
1 1 1 9   11 6  o 15 2.25039      0.338267    516.338   65.9501      214.916   -114.05      339.504   -114.05      
1 1 1 9   11 7  f 0  9.43686      0.706169    765.061   -139.611     582.853   -139.611     55.1068   40.3887      
1 1 1 9   11 8  o 14 6.46646      0.614578    199.075   -179.652     196.672   -179.652     7.92933   -179.652     
1 1 1 9   11 9  o 13 6.96274      0.657107    1187.62   71.9821      99.3401   71.9821      488.426   -108.018     
1 1 1 9   11 10 o 1  9.35399      0.688484    737.013   -150.698     679.246   -150.698     6.93313   -150.698     
1 1 1 9   11 11 o 13 0.306168     0.445896    308.214   -133.091     ?         ?            ?         ?            
1 1 1 9   11 12 o 9  7.04596      0.540593    386.126   153.655      693.255   153.655      170.889   153.655      
1 1 1 9   11 13 o 7  1.28623      0.439123    154.15    -55.592      63.0335   124.408      102.24    124.408      
1 1 1 9   11 14 o 11 0.864406     0.326596    310.92    17.6453      124.011   -162.355     203.169   -162.355     
1 1 1 9   11 15 o 13 4.17764      0.496481    488.31    -125.187     441.865   -125.187     8.92155   -125.187     
1 1 1 9   11 16 o 15 1.30935      0.412877    253.028   88.0816      107.695   88.0816      49.3741   -91.9184     
1 1 1 9   11 17 o 9  1.53608      0.360055    300.267   166.608      155.579   166.608      40.2131   -13.392      
1 1 1 9   11 18 o 15 0.875671     0.471443    396.999   -5.93907     63.3288   -5.93907     118.848   174.061      
1 1 1 9   13 0  o 15 2.17275      0.381343    1057.52   -149.422     424.944   30.5782      691.416   30.5782      
1 1 1 9   13 1  o 2  4.4307       0.438629    425.153   99.2336      164.976   99.2336      109.982   -80.7664     
1 1 1 9   13 2  o 13 6.49405      0.561724    755.285   8.27237      419.669   8.27237      131.804   -171.728     
1 1 1 9   13 3  o 1  2.14444      0.339852    198.878   61.9091      89.4031   -118.091     134.557   -118.091     
1 1 1 9   13 4  o 14 1.66728      0.397888    605.321   -0.650311    221.589   179.35       383.979   179.35       
1 1 1 9   13 5  o 7  2.01609      0.394473    652.861   -117.478     161.586   62.5215      375.327   62.5215      
1 1 1 9   13 6  o 3  1.87048      0.342826    230.562   68.9247      67.5244   -111.075     137.932   -111.075     
1 1 1 9   13 7  o 1  1.61326      0.343603    450.614   152.567      163.462   -27.4326     286.172   -27.4326     
1 1 1 9   13 8  o 10 1.66874      0.453715    228.459   -43.9605     72.8115   136.04       140.715   136.04       
1 1 1 9   13 9  o 3  2.84636      0.359416    699.43    -6.99344     99.1078   -6.99344     271.34    173.007      
1 1 1 9   13 10 o 2  0.544107     0.296072    256.17    -5.11161     ?         ?            ?         ?            
1 1 1 9   13 11 f 0  3.4075       0.48812     351.137   144.373      357.265   144.373      21.8597   144.373      
1 1 1 9   13 12 o 17 1.26583      0.403787    323.925   102.353      79.6225   102.353      98.6342   -77.6469     
1 1 1 9   13 13 o 17 2.41274      0.368554    406.226   26.3468      287.834   26.3468      21.2875   -153.653     
1 1 1 9   13 14 o 15 0.579879     0.32255     318.856   -58.104      ?         ?            ?         ?            
1 1 1 9   13 15 o 3  1.19747      0.35254     324.069   77.4662      201.992   77.4662      23.6015   -102.534     
1 1 1 9   13 16 o 3  -0.300888    0.328875    124.499   165.298      62.7726   -14.7022     78.8199   -14.7022     
1 1 1 9   15 0  o 11 9.76326      0.868835    1111.76   15.1634      532.007   15.1634      242.549   -164.837     
1 1 1 9   15 1  o 8  0.645402     0.338096    160.156   117.601      79.9851   -62.3991     113.178   -62.3991     
1 1 1 9   15 2  o 3  2.48738      0.436191    178.103   32.0084      154.072   32.0084      4.14363   -147.992     
1 1 1 9   15 3  o 2  1.29307      0.478018    248.094   143.314      1.90584   -36.6858     113.465   -36.6858     
1 1 1 9   15 4  o 2  1.73644      0.529428    528.007   -67.8851     52.6429   -67.8851     210.971   112.115      
1 1 1 9   15 5  o 1  1.00121      0.390288    487.172   -37.4814     99.6855   142.519      265.558   142.519      
1 1 1 9   15 6  o 7  3.9951       0.496115    557.202   -120.593     476.481   -120.593     3.14365   59.4067      
1 1 1 9   15 7  o 1  0.390036     0.278574    414.44    -154.927     190.314   25.0733      269.697   25.0733      
1 1 1 9   15 8  o 7  0.320681     0.266017    380.864   -26.7427     219.709   153.257      265.46    153.257      
1 1 1 9   15 9  o 18 0.865534     0.360467    619.802   21.5157      105.358   -158.484     299.645   -158.484     
1 1 1 9   15 10 o 3  0.77257      0.308496    356.55    -76.8277     30.6413   103.172      155.161   103.172      
1 1 1 9   15 11 o 5  -0.160107    0.225611    187.846   158.477      ?         ?            ?         ?            
1 1 1 9   15 12 o 15 2.50572      0.410036    375.76    177.126      472.706   177.126      95.5516   177.126      
1 1 1 9   17 0  o 11 0.848226     0.360387    233.107   28.1003      68.5159   28.1003      56.3321   -151.9       
1 1 1 9   17 1  o 4  0.54496      0.439323    220.266   98.397       34.6742   -81.603      102.784   -81.603      
1 1 1 9   17 2  o 17 0.427821     0.34053     333.087   -69.3849     89.8827   110.615      173.633   110.615      
1 1 1 9   17 3  o 9  1.49934      0.37416     91.588    -168.625     174.385   -168.625     52.0616   -168.625     
1 1 1 9   17 4  o 17 0.757549     0.408071    174.966   89.0973      68.9056   89.0973      31.9121   -90.9027     
1 1 1 9   17 5  o 6  -0.444854    0.344482    276.471   -14.5434     167.512   165.457      187.433   165.457      
1 1 1 9   17 6  o 5  -0.33168     0.385883    246.773   60.8421      159.072   -119.158     173.466   -119.158     
1 1 1 10  0  0  o 11 154.449      16.4079     3030.02   -180         3576.49   180          335.313   180          
1 1 1 10  0  1  o 16 8.81432      0.805156    176.872   180          ?         ?            ?         ?            
1 1 1 10  0  2  o 13 12.8552      1.07014     1256.68   0            17.8308   0            597.414   180          
1 1 1 10  0  3  o 18 0.549701     0.371765    683.422   180          ?         ?            ?         ?            
1 1 1 10  0  4  o 6  81.8192      5.14355     1594.51   180          3319.62   180          911.256   180          
1 1 1 10  0  5  o 15 6.50005      0.662382    567.638   180          304.717   4.89822e-15  411.076   1.81545e-15  
1 1 1 10  0  6  o 7  376.195      11.9085     5163.74   0            6164.46   0            798.875   0            
1 1 1 10  0  7  o 6  13.7751      0.756514    1879.17   0            ?         ?            ?         ?            
1 1 1 10  0  8  o 8  54.2868      2.98362     2182.6    180          2137.68   180          136.893   180          
1 1 1 10  0  9  o 12 82.6396      3.29333     2598.23   0            2741.61   0            270.704   0            
1 1 1 10  0  10 o 14 14.8013      1.0448      12.5867   0            13.9883   0            1.73474   0            
1 1 1 10  0  11 o 4  38.1096      2.52945     1287      0            2380.61   0            663.468   0            
1 1 1 10  0  12 o 16 0.889486     0.319043    540.179   0            393.828   180          413.988   180          
1 1 1 10  0  13 o 16 8.06224      0.603599    713.363   0            475.611   0            49.0119   180          
1 1 1 10  0  14 o 5  1.75676      0.487497    1337.74   180          ?         ?            ?         ?            
1 1 1 10  0  15 o 5  96.6289      4.45045     2734.08   0            2718.79   0            173.524   0            
1 1 1 10  0  16 o 2  109.536      4.60498     2713.07   0            3367.94   0            462.985   0            
1 1 1 10  0  17 o 12 40.4392      2.00756     1257.37   180          2398.23   180          628.306   180          
1 1 1 10  0  18 f 0  18.1241      1.27236     1858.22   180          333.85    180          671.537   1.0505e-14   
1 1 1 10  0  19 o 15 3.76408      0.558524    107.057   180          ?         ?            ?         ?            
1 1 1 10  0  20 o 4  41.6283      2.28765     832.151   0            2793.27   0            1015.08   0            
1 1 1 10  0  21 o 16 20.1858      1.25721     735.045   0            1797.97   0            576.549   0            
1 1 1 10  0  22 o 16 16.6974      1.88852     821.31    0            1484.79   0            410.823   0            
1 1 1 10  0  23 o 16 2.63704      0.619452    401.613   180          ?         ?            ?         ?            
1 1 1 10  2  0  o 9  137.93       3.34456     2837.61   82.5053      3127.24   82.5053      195.631   82.5053      
1 1 1 10  2  1  o 1  36.2238      1.41478     442.328   -112.864     350.674   -112.864     37.4235   67.1362      
1 1 1 10  2  2  o 14 21.0582      0.842022    1444.9    28.37        151.086   28.37        614.323   -151.63      
1 1 1 10  2  3  o 2  70.534       2.44213     1865.75   80.5496      2146.87   80.5496      196.464   80.5496      
1 1 1 10  2  4  o 5  112.329      2.74741     2679.04   5.75649      2990.23   5.75649      265.442   5.75649      
1 1 1 10  2  5  o 15 14.4682      0.887433    1929.36   -149.847     345.682   30.1528      1034.56   30.1528      
1 1 1 10  2  6  o 12 62.3122      2.20094     1979.97   -75.3635     1851.07   -75.3635     62.0922   -75.3635     
1 1 1 10  2  7  o 6  107.254      3.31942     2543.98   -15.8704     3242.05   -15.8704     528.974   -15.8704     
1 1 1 10  2  8  o 13 28.9089      1.15023     1064.15   152.568      1562.77   152.568      328.653   152.568      
1 1 1 10  2  9  f 0  60.6957      2.23334     1667.11   20.8067      2572.71   20.8067      583.475   20.8067      
1 1 1 10  2  10 o 4  6.49172      0.521164    314.461   -114.536     115.742   65.4641      188.391   65.4641      
1 1 1 10  2  11 o 6  12.0234      0.532553    602.38    69.1901      892.24    69.1901      201.267   69.1901      
1 1 1 10  2  12 o 8  4.00889      0.422475    637.904   -113.67      ?         ?            ?         ?            
1 1 1 10  2  13 o 9  20.9797      0.893202    1447.61   48.6666      1111.63   48.6666      29.3058   -131.333     
1 1 1 10  2  14 o 3  23.8837      1.11519     1441.25   12.0634      1175.98   12.0634      15.4744   -167.937     
1 1 1 10  2  15 o 17 57.2896      2.46068     2381.32   -26.3234     1863.73   -26.3234     112.441   153.677      
1 1 1 10  2  16 o 6  2.63726      0.323748    505.36    -39.3377     185.466   140.662      321.207   140.662      
1 1 1 10  2  17 o 18 10.9467      0.661743    252.442   14.5182      509.667   14.5182      140.36    14.5182      
1 1 1 10  2  18 o 5  22.2064      1.2815      1072.75   154.943      1442.31   154.943      237.192   154.943      
1 1 1 10  2  19 o 1  9.85707      0.602266    717.684   -16.0706     753.51    -16.0706     49.5891   -16.0706     
1 1 1 10  2  20 o 17 4.97169      0.524449    460.575   -133.989     570.527   -133.989     74.6675   -133.989     
1 1 1 10  2  21 o 19 1.50655      0.378814    304.363   160.642      ?         ?            ?         ?            
1 1 1 10  2  22 o 18 2.77644      0.469855    8.97528   -157.977     16.7875   -157.977     4.80636   -157.977     
1 1 1 10  2  23 o 9  6.64667      0.591434    377.554   50.6883      1001.06   50.6883      355.472   50.6883      
1 1 1 10  4  0  o 15 197.872      5.91582     3411.67   164.815      3989.38   164.815      440.562   164.815      
1 1 1 10  4  1  f 0  21.3537      0.929486    1505.13   -118.154     1241.18   61.8464      1302.25   61.8464      
1 1 1 10  4  2  o 15 321.977      9.00616     4710.21   -103.274     5478.38   -103.274     628.736   -103.274     
1 1 1 10  4  3  f 0  103.451      3.21454     2628.82   -39.5455     2915.98   -39.5455     296.404   -39.5455     
1 1 1 10  4  4  o 10 142.875      4.35755     2858.81   90.6357      3596.13   90.6357      552.853   90.6357      
1 1 1 10  4  5  o 18 241.408      6.63774     4415.06   -5.44412     4309.12   -5.44412     254.223   -5.44412     
1 1 1 10  4  6  o 3  15.3671      1.05985     1035.37   149.262      384.421   149.262      249.781   -30.7384     
1 1 1 10  4  7  o 7  8.42577      0.6783      804.59    -130.064     91.4495   -130.064     295.526   49.9361      
1 1 1 10  4  8  o 14 3.1456       0.331836    558.161   37.6316      229.44    -142.368     349.3     -142.368     
1 1 1 10  4  9  o 17 3.71623      0.316913    1442.51   61.3143      351.678   -118.686     772.961   -118.686     
1 1 1 10  4  10 o 19 27.7257      1.19167     2211.8    -103.272     855.639   -103.272     470.549   76.7278      
1 1 1 10  4  11 o 17 64.9936      2.10682     2840.45   148.979      1844.83   148.979      216.38    -31.0214     
1 1 1 10  4  12 o 11 38.2138      1.45207     1554.97   88.6199      1955.99   88.6199      351.01    88.6199      
1 1 1 10  4  13 o 14 20.3666      0.966473    534.678   108.915      992.628   108.915      274.174   108.915      
1 1 1 10  4  14 o 8  7.19365      0.52777     164.196   12.1231      49.9295   12.1231      46.3086   -167.877     
1 1 1 10  4  15 o 12 7.43133      0.577927    670.279   119.854      ?         ?            ?         ?            
1 1 1 10  4  16 o 10 42.6318      1.51955     488.233   -27.6318     2265.86   -27.6318     911.226   -27.6318     
1 1 1 10  4  17 o 8  2.33508      0.354075    373.275   69.8048      ?         ?            ?         ?            
1 1 1 10  4  18 o 6  17.2806      0.884159    607.494   38.188       952.463   38.188       200.922   38.188       
1 1 1 10  4  19 o 8  20.4394      1.08319     344.613   6.65919      1675.88   6.65919      679.82    6.65919      
1 1 1 10  4  20 o 3  9.13601      0.823701    640.504   93.8664      967.794   93.8664      197.575   93.8664      
1 1 1 10  4  21 o 16 5.29157      0.491754    746.449   -124.277     336.999   -124.277     139.739   55.7233      
1 1 1 10  4  22 o 17 0.915858     0.42566     102.834   -72.8752     ?         ?            ?         ?            
1 1 1 10  4  23 f 0  5.71472      0.581998    223.752   -160.014     936.068   -160.014     384.185   -160.014     
1 1 1 10  6  0  o 7  57.0689      2.16189     1494.59   171.793      2258.73   171.794      489.812   171.794      
1 1 1 10  6  1  f 0  34.9612      1.57062     969.529   -126.571     1556.88   -126.571     364.076   -126.571     
1 1 1 10  6  2  o 9  19.3422      1.14886     475.306   -102.199     339.636   -102.199     32.8913   77.8006      
1 1 1 10  6  3  f 0  84.8723      2.66756     2517.69   -102.328     2651.46   -102.328     254.98    -102.328     
1 1 1 10  6  4  o 14 15.0301      0.893832    1091.61   -163.023     766.149   -163.023     79.4697   16.9766      
1 1 1 10  6  5  o 7  9.57001      0.741709    851.551   53.1945      405.422   53.1945      156.121   -126.805     
1 1 1 10  6  6  o 14 17.5023      0.768439    665.488   126.316      1086.26   126.316      265.174   126.316      
1 1 1 10  6  7  o 14 51.3275      1.53458     1908.26   -117.258     2238.29   -117.258     332.321   -117.258     
1 1 1 10  6  8  o 9  9.86474      0.647336    534.923   -41.7378     704.095   -41.7378     134.794   -41.7378     
1 1 1 10  6  9  o 3  9.78741      0.579724    999.747   -28.2222     365.728   -28.2222     218.445   151.778      
1 1 1 10  6  10 o 8  11.9712      0.68058     1062.54   87.5177      717.392   87.5177      67.8243   -92.4823     
1 1 1 10  6  11 o 15 2.79031      0.437032    252.021   -1.98969     ?         ?            ?         ?            
1 1 1 10  6  12 o 13 47.6564      1.77822     1946.54   82.5013      1989.73   82.5013      170.736   82.5013      
1 1 1 10  6  13 o 9  12.7829      0.732471    908.281   -76.0429     638.456   103.957      719.166   103.957      
1 1 1 10  6  14 o 14 71.4769      2.33172     1914.71   -98.8968     2661.17   -98.8968     465.359   -98.8968     
1 1 1 10  6  15 o 5  17.7535      1.01026     687.031   54.307       1099.66   54.307       238.04    54.307       
1 1 1 10  6  16 o 10 18.7884      0.875495    644.18    125.557      917.119   125.557      167.863   125.557      
1 1 1 10  6  17 o 8  5.5021       0.526517    239.436   61.7063      379.75    61.7063      81.2823   61.7063      
1 1 1 10  6  18 o 1  3.26364      0.51246     371.979   0.836126     255.57    0.836126     42.8931   -179.164     
1 1 1 10  6  19 o 4  2.34427      0.429043    266.97    -115.417     169.512   -115.417     34.8958   64.5828      
1 1 1 10  6  20 o 15 2.56984      0.442779    261.973   -64.8914     366.565   -64.8914     74.308    -64.8914     
1 1 1 10  6  21 o 15 1.96918      0.45443     156.865   117.079      221.679   117.079      49.0875   117.079      
1 1 1 10  6  22 o 16 1.78119      0.457668    115.21    41.3028      228.063   41.3028      70.6699   41.3028      
1 1 1 10  8  0  o 2  11.0931      0.72718     893.729   -45.5546     659.858   -45.5546     39.6529   134.445      
1 1 1 10  8  1  o 1  27.6335      1.07333     1751.94   82.461       1234.18   82.461       105.938   -97.539      
1 1 1 10  8  2  o 13 0.356845     0.137043    370.891   102.522      ?         ?            ?         ?            
1 1 1 10  8  3  o 16 0.895592     0.225362    921.217   51.2253      ?         ?            ?         ?            
1 1 1 10  8  4  o 7  11.44        0.992963    700.845   -14.1147     764.201   -14.1147     97.754    -14.1147     
1 1 1 10  8  5  o 15 4.66343      0.342342    1241.71   108.949      43.6718   -71.0508     521.94    -71.0508     
1 1 1 10  8  6  o 19 5.07554      0.638038    1109.58   1.86148      23.5685   1.86148      432.936   -178.139     
1 1 1 10  8  7  o 2  1.20514      0.230995    1090.4    147.085      ?         ?            ?         ?            
1 1 1 10  8  8  o 14 5.59507      0.421315    166.079   -179.94      13.9024   -179.94      60.4455   0.0600656    
1 1 1 10  8  9  o 16 3.41193      0.39256     243.488   -95.1554     42.8466   84.8446      122.506   84.8446      
1 1 1 10  8  10 o 4  7.981        0.496994    568.05    89.4675      344.988   89.4675      70.8554   -90.5325     
1 1 1 10  8  11 o 7  0.999772     0.324905    544.819   -78.2748     ?         ?            ?         ?            
1 1 1 10  8  12 o 7  11.7411      0.689037    854.922   27.9547      739.026   27.9547      16.6895   -152.045     
1 1 1 10  8  13 o 12 19.9679      0.917997    1132.86   -95.9153     1179.23   -95.9154     75.2399   -95.9154     
1 1 1 10  8  14 f 0  2.59468      0.385996    409.705   -66.4339     22.9034   113.566      196.553   113.566      
1 1 1 10  8  15 o 5  7.0075       0.665074    432.018   -150.822     591.734   -150.822     100.661   -150.822     
1 1 1 10  8  16 o 7  0.494484     0.320178    118.051   112.868      ?         ?            ?         ?            
1 1 1 10  8  17 o 15 3.63492      0.501077    177.988   74.1782      274.682   74.1782      55.9785   74.1782      
1 1 1 10  8  18 o 6  4.78866      0.46977     583.861   -66.0126     539.194   -66.0126     14.4998   -66.0126     
1 1 1 10  8  19 o 9  1.89298      0.38816     170.573   -109.648     92.2601   -109.648     23.1358   70.3523      
1 1 1 10  8  20 o 16 1.38317      0.355891    683.818   122.892      29.3085   122.892      252.505   -57.1077     
1 1 1 10  8  21 o 10 -0.0250385   0.300456    274.08    -91.2652     136.895   88.7347      171.245   88.7347      
1 1 1 10  10 0  o 6  6.52252      0.535769    505.903   159.565      247.804   159.565      80.6763   -20.4352     
1 1 1 10  10 1  o 9  7.90431      0.505098    933.379   -125.548     386.361   -125.548     184.966   54.452       
1 1 1 10  10 2  o 2  14.2229      0.970209    683.553   -150.415     877.473   -150.415     160.666   -150.415     
1 1 1 10  10 3  f 0  0.675939     0.183748    1270.69   95.7136      ?         ?            ?         ?            
1 1 1 10  10 4  o 16 7.17032      0.568754    1048.53   -24.6743     161.9     -24.6743     353.353   155.326      
1 1 1 10  10 5  o 3  1.54862      0.392591    290.664   -25.9144     152.531   154.086      198.515   154.086      
1 1 1 10  10 6  o 16 2.38745      0.298433    316.051   85.7511      113.274   -94.2489     192.143   -94.2489     
1 1 1 10  10 7  o 5  12.0954      0.716946    209.873   57.7981      364.338   57.7981      90.2647   57.7981      
1 1 1 10  10 8  o 15 18.3123      0.966737    843.523   137.821      1096.19   137.821      171.505   137.821      
1 1 1 10  10 9  o 1  8.80377      0.551477    440.675   6.84843      411.061   6.84843      6.20423   6.84843      
1 1 1 10  10 10 o 3  6.40062      0.52925     803.472   -0.468583    250.913   -0.468583    239.423   179.531      
1 1 1 10  10 11 o 3  7.41881      0.557948    946.601   -100.032     383.64    -100.032     236.64    79.9682      
1 1 1 10  10 12 o 17 1.65887      0.33216     630.952   -63.193      503.097   116.807      536.188   116.807      
1 1 1 10  10 13 o 10 0.528388     0.36526     330.052   124.269      252.973   -55.7306     276.075   -55.7306     
1 1 1 10  10 14 o 1  2.39862      0.453035    106.719   -134.03      59.5297   -134.03      19.1139   45.9695      
1 1 1 10  10 15 o 17 4.17897      0.431069    531.478   -129.958     454.164   -129.958     15.4871   50.0421      
1 1 1 10  10 16 o 18 0.10761      0.273851    298.53    -169.57      ?         ?            ?         ?            
1 1 1 10  10 17 o 4  0.781031     0.29954     110.985   40.3913      11.3246   -139.609     51.1337   -139.609     
1 1 1 10  10 18 o 12 3.22306      0.471639    405.647   -32.5579     519.966   -32.5579     100.526   -32.5579     
1 1 1 10  10 19 o 6  2.00731      0.58454     194.819   -176.131     388.03    -176.131     120.331   -176.131     
1 1 1 10  12 0  o 4  13.1111      0.907074    605.021   50.9359      793.173   50.9359      123.916   50.9359      
1 1 1 10  12 1  o 11 1.68416      0.348646    862.745   -168.26      620.177   11.7401      699.411   11.7401      
1 1 1 10  12 2  o 12 16.2893      0.927312    1271.65   135.928      794.831   135.928      177.666   -44.0716     
1 1 1 10  12 3  o 13 4.65206      0.440901    749.978   82.7375      5.00044   -97.2625     342.456   -97.2625     
1 1 1 10  12 4  o 1  4.84449      0.461701    379.462   -114.785     63.1399   65.2154      203.852   65.2154      
1 1 1 10  12 5  o 8  12.2523      0.69251     678.859   -111.667     876.145   -111.667     129.844   -111.667     
1 1 1 10  12 6  o 11 0.73267      0.414984    308.466   -43.6426     272.498   136.357      276.051   136.357      
1 1 1 10  12 7  o 13 5.75713      0.419942    687.549   3.32458      299.455   3.32458      160.988   -176.675     
1 1 1 10  12 8  o 13 2.76182      0.379754    967.323   40.9626      181.603   -139.037     527.188   -139.037     
1 1 1 10  12 9  o 15 0.743641     0.3089      598.252   -172.88      488.285   7.11964      514.62    7.11964      
1 1 1 10  12 10 o 6  2.28822      0.51135     626.314   -104.625     7.11024   75.3753      288.724   75.3753      
1 1 1 10  12 11 o 14 1.85529      0.3781      315.639   169.297      22.8319   -10.7032     156.176   -10.7032     
1 1 1 10  12 12 o 12 1.07502      0.305229    426.525   -119.851     126.043   60.1494      257.701   60.1494      
1 1 1 10  12 13 f 0  3.28465      0.425688    414.259   79.8353      61.4723   79.8353      152.655   -100.165     
1 1 1 10  12 14 o 19 0.631815     0.296689    577.026   90.4051      265.498   -89.5949     374.656   -89.5949     
1 1 1 10  12 15 o 1  2.28794      0.567893    498.182   -11.6581     208.559   -11.6581     94.5736   168.342      
1 1 1 10  12 16 o 5  0.863345     0.334784    53.2608   72.1815      6.42031   72.1815      17.5255   -107.818     
1 1 1 10  12 17 f 0  0.0385242    0.350197    144.207   -76.2943     80.5139   103.706      94.2924   103.706      
1 1 1 10  14 0  o 13 1.08794      0.324998    271.807   62.5307      108.835   -117.469     177.631   -117.469     
1 1 1 10  14 1  o 1  1.54021      0.351926    265.51    -110.486     52.2139   69.5137      146.556   69.5137      
1 1 1 10  14 2  o 6  0.122552     0.353016    248.745   34.1732      ?         ?            ?         ?            
1 1 1 10  14 3  o 5  3.78672      0.585594    567.157   91.7247      278.988   91.7247      118.832   -88.2753     
1 1 1 10  14 4  o 15 9.05469      0.703475    1223.46   171.28       453.333   171.28       332.364   -8.72025     
1 1 1 10  14 5  o 1  1.81598      0.379396    203.969   -39.8171     26.6835   -39.8171     80.1471   140.183      
1 1 1 10  14 6  o 4  4.30587      0.502832    464.557   -42.4532     442.306   -42.4532     8.00401   -42.4532     
1 1 1 10  14 7  o 14 6.48662      0.595273    369.392   141.701      789.07    141.701      225.833   141.701      
1 1 1 10  14 8  o 5  1.89695      0.361246    517.417   167.264      71.5712   167.264      197.003   -12.7363     
1 1 1 10  14 9  o 4  2.05588      0.430695    423.927   -42.5825     180.921   -42.5825     94.856    137.418      
1 1 1 10  14 10 o 14 0.602154     0.331933    216.402   -95.3966     130.545   84.6034      156.154   84.6034      
1 1 1 10  14 11 o 17 3.23297      0.51347     161.671   -48.414      384.786   -48.414      127.12    -48.414      
1 1 1 10  14 12 o 5  1.59389      0.338348    52.5258   -14.0155     77.8103   -14.0155     18.2173   -14.0155     
1 1 1 10  14 13 o 3  1.08632      0.342616    156.909   145.401      120.481   145.401      0.309005  -34.5994     
1 1 1 10  14 14 f 0  0.719986     0.331942    197.043   -153.809     84.782    -153.809     31.5059   26.1907      
1 1 1 10  16 0  o 17 0.529865     0.328751    455.795   -148.88      171.712   31.1199      275.783   31.1199      
1 1 1 10  16 1  o 11 1.26098      0.400309    245.626   -140.704     111.769   -140.704     46.0523   39.2959      
1 1 1 10  16 2  f 0  0.994536     0.470093    348.782   173.725      19.2379   173.725      134.02    -6.27477     
1 1 1 10  16 3  o 16 0.722941     0.467821    290.374   -121.872     47.8494   58.1281      142.242   58.1281      
1 1 1 10  16 4  o 4  5.03752      0.578715    589.794   115.415      658.624   115.415      91.9209   115.415      
1 1 1 10  16 5  o 17 0.524521     0.461923    220.534   157.744      79.1643   -22.2562     127.295   -22.2562     
1 1 1 10  16 6  o 10 1.44433      0.339743    590.904   -85.8731     93.9295   -85.8731     185.727   94.1269      
1 1 1 10  16 7  o 9  -0.31691     0.265581    115.381   -112.846     ?         ?            ?         ?            
1 1 1 10  16 8  o 3  0.498911     0.319785    26.0822   158.035      2.72798   158.035      8.64756   -21.9654     
1 1 1 10  16 9  o 1  -0.220121    0.252352    208.743   -146.995     122.492   33.0046      139.544   33.0046      
1 1 1 11  1  0  o 6  44.51        1.44854     1667.11   177.409      1340.61   177.409      133.835   -2.59083     
1 1 1 11  1  1  o 7  105.297      2.98262     2367.71   146.367      2787.84   146.367      251.533   146.367      
1 1 1 11  1  2  o 17 69.6524      1.81674     2388.49   -79.5513     1574.84   -79.5513     360.455   100.449      
1 1 1 11  1  3  o 3  147.384      4.30908     2657.78   -17.5441     3765.21   -17.5441     621.854   -17.5441     
1 1 1 11  1  4  o 5  108.506      3.64402     2645.95   -40.7351     2710.5    -40.7351     128.977   -40.7351     
1 1 1 11  1  5  o 6  39.8359      1.33332     1364.02   160.105      999.09    160.105      114.534   -19.8949     
1 1 1 11  1  6  o 3  2.17981      0.306514    1120.94   67.7544      ?         ?            ?         ?            
1 1 1 11  1  7  o 19 15.4393      0.729329    566.874   -126.118     466.965   53.8824      477.418   53.8824      
1 1 1 11  1  8  o 11 5.73477      0.456903    275.525   -53.5599     ?         ?            ?         ?            
1 1 1 11  1  9  o 16 5.17553      0.603872    96.8109   -142.742     7.70382   -142.742     37.0307   37.2584      
1 1 1 11  1  10 o 18 7.09934      0.411333    912.734   -76.507      20.7831   103.493      390.133   103.493      
1 1 1 11  1  11 o 17 5.54002      0.424047    781.343   140.256      135.338   140.256      250.64    -39.7443     
1 1 1 11  1  12 o 7  68.3411      2.16607     2313.98   -49.34       2517.97   -49.34       330.955   -49.34       
1 1 1 11  1  13 o 14 19.8462      1.2152      1435.93   -102.046     1040.22   -102.046     59.2358   77.9541      
1 1 1 11  1  14 o 13 2.56166      0.372322    680.467   -2.73098     ?         ?            ?         ?            
1 1 1 11  1  15 o 7  29.6567      1.05869     780.833   177.163      1724.51   177.163      520.814   177.163      
1 1 1 11  1  16 o 11 5.57695      0.480997    543.903   11.0881      89.8      -168.912     290.551   -168.912     
1 1 1 11  1  17 o 4  19.209       1.22614     697.237   78.7061      1379.64   78.7061      373.544   78.7061      
1 1 1 11  1  18 o 11 34.0682      1.40519     799.844   -7.79218     1814.82   -7.79218     546.577   -7.79218     
1 1 1 11  1  19 o 6  3.69673      0.424892    636.944   -133.337     ?         ?            ?         ?            
1 1 1 11  1  20 o 15 5.11692      0.495535    346.293   164.111      463.11    164.111      73.0973   164.111      
1 1 1 11  1  21 o 3  1.94837      0.543686    319.372   -117.697     90.1812   62.3034      183.546   62.3034      
1 1 1 11  1  22 o 5  4.87161      0.536212    612.436   105.958      573.832   105.958      41.7444   105.958      
1 1 1 11  1  23 o 9  7.10084      0.711442    169.103   -78.3247     840.148   -78.3247     355.004   -78.3247     
1 1 1 11  3  0  o 11 36.0599      1.36883     981.676   171.211      1010.27   171.211      42.8707   171.211      
1 1 1 11  3  1  o 5  81.7591      2.88685     2213.45   140.513      2310.5    140.513      119.467   140.513      
1 1 1 11  3  2  o 11 128.493      3.69503     3068.22   176.718      3130.19   176.718      146.995   176.718      
1 1 1 11  3  3  o 6  109.304      3.3508      2730.36   -124.477     2909.8    -124.477     215.41    -124.477     
1 1 1 11  3  4  o 17 36.6141      1.50115     1891.77   64.1121      839.6     64.1121      421.266   -115.888     
1 1 1 11  3  5  o 5  40.5376      2.21486     1923      -102.286     1334.08   -102.286     171.482   77.7143      
1 1 1 11  3  6  o 12 112.96       3.74688     3211.83   -72.3351     2686.25   -72.3351     37.6493   107.665      
1 1 1 11  3  7  o 13 14.0854      0.628663    862.119   56.3948      387.395   56.3948      173.704   -123.605     
1 1 1 11  3  8  o 13 57.2735      2.32309     1525.83   -55.0993     2360.73   -55.0993     534.999   -55.0993     
1 1 1 11  3  9  o 11 12.8568      0.729917    968.906   -153.849     750.221   -153.849     29.7036   26.1511      
1 1 1 11  3  10 o 5  33.0843      1.01474     1515.97   78.6139      1523.1    78.6139      139.941   78.6139      
1 1 1 11  3  11 o 5  12.6769      0.71537     841.182   21.218       349.516   21.218       163.926   -158.782     
1 1 1 11  3  12 o 12 4.03467      0.313109    598.064   -126.32      106.759   53.6801      293.268   53.6801      
1 1 1 11  3  13 o 12 4.0582       0.467039    1004.58   84.618       187.426   -95.382      505.404   -95.382      
1 1 1 11  3  14 o 6  37.262       1.48324     2062.71   88.1708      1450.96   88.1708      156.343   -91.8292     
1 1 1 11  3  15 o 12 45.4309      1.60034     1701.41   114.496      2003.45   114.496      243.522   114.496      
1 1 1 11  3  16 o 1  2.77475      0.505626    578.808   74.2762      312.75    -105.724     419.118   -105.724     
1 1 1 11  3  17 o 9  40.8872      1.94868     775.246   59.098       2424.82   59.098       861.826   59.098       
1 1 1 11  3  18 o 19 1.51207      0.332416    84.5767   31.1955      ?         ?            ?         ?            
1 1 1 11  3  19 o 8  17.519       1.07326     1171.74   27.8578      1106.38   27.8578      16.4454   27.8578      
1 1 1 11  3  20 o 6  0.738376     0.324491    489.066   4.81968      316.718   -175.18      379.549   -175.18      
1 1 1 11  3  21 o 16 4.60847      0.435423    67.2002   155.068      233.922   155.068      88.7143   155.068      
1 1 1 11  3  22 o 5  6.75599      0.654903    476.277   32.1012      918.801   32.1012      271.492   32.1012      
1 1 1 11  3  23 o 5  2.81916      0.465456    529.601   65.7021      379.815   65.7021      9.65966   -114.298     
1 1 1 11  5  0  o 3  25.2086      1.70613     1398.96   77.5692      685.152   77.5692      267.773   -102.431     
1 1 1 11  5  1  o 9  76.0119      3.31353     2147.82   142.163      2400.81   142.163      266.392   142.163      
1 1 1 11  5  2  o 18 99.1883      3.15949     3078.36   155.974      2433.24   155.974      114.88    -24.0264     
1 1 1 11  5  3  o 13 208.866      5.87715     3717.54   104.892      4656.78   104.892      730.25    104.892      
1 1 1 11  5  4  o 1  21.2049      0.911627    1099.52   140.256      325.167   140.256      307.424   -39.7441     
1 1 1 11  5  5  o 9  5.07893      0.393012    320.414   -57.7714     ?         ?            ?         ?            
1 1 1 11  5  6  o 17 4.79078      0.700503    950.78    2.15949      ?         ?            ?         ?            
1 1 1 11  5  7  o 2  20.8255      0.842361    1088.24   122.387      1308.48   122.387      198.193   122.387      
1 1 1 11  5  8  o 4  65.688       2.14766     1924.33   -173.975     2735.82   -173.975     572.888   -173.975     
1 1 1 11  5  9  o 12 103.707      3.1224      2872.43   -125.039     3248.33   -125.039     457.614   -125.039     
1 1 1 11  5  10 o 9  32.99        1.22787     2208.68   7.54389      1063.91   7.54389      353.971   -172.456     
1 1 1 11  5  11 o 4  106.593      2.92813     3149.16   -33.7995     3092.15   -33.7995     279.289   -33.7995     
1 1 1 11  5  12 o 6  0.898984     0.290333    331.961   -110.876     ?         ?            ?         ?            
1 1 1 11  5  13 f 0  37.9778      1.29342     1233.71   169.833      1731.96   169.833      336.545   169.833      
1 1 1 11  5  14 o 18 31.6354      1.37633     1231.38   168.041      1702.43   168.041      302.238   168.041      
1 1 1 11  5  15 o 16 10.8112      0.700719    882.359   -177.658     661.355   -177.658     69.7612   2.34157      
1 1 1 11  5  16 o 11 18.559       0.911121    917.188   69.1186      1080.09   69.1186      124.963   69.1186      
1 1 1 11  5  17 o 13 4.72443      0.488083    563.143   -162.732     73.2018   17.2676      290.842   17.2676      
1 1 1 11  5  18 o 9  4.06695      0.614229    15.9421   79.3013      14.6577   79.3013      0.0442532 79.3013      
1 1 1 11  5  19 o 4  24.0254      1.06479     844.536   57.8635      1822.16   57.8635      525.879   57.8635      
1 1 1 11  5  20 o 8  15.6106      0.966857    749.708   -164.245     1393.59   -164.245     374.16    -164.245     
1 1 1 11  5  21 o 9  2.15832      0.421059    287.876   -178.224     116.632   -178.224     56.6947   1.77633      
1 1 1 11  5  22 o 17 2.1374       0.400137    172.303   107.359      281.696   107.359      74.5238   107.359      
1 1 1 11  7  0  o 1  6.58196      0.536601    570.015   -159.424     138.447   -159.424     171.478   20.5761      
1 1 1 11  7  1  o 1  34.0343      1.40979     1245.25   -39.1012     1890.58   -39.1012     420.13    -39.1012     
1 1 1 11  7  2  o 8  3.41772      0.325817    941.765   41.6458      344.088   -138.354     568.148   -138.354     
1 1 1 11  7  3  o 17 13.636       0.829644    1144.76   81.6367      538.471   81.6367      210.069   -98.3633     
1 1 1 11  7  4  o 13 27.0076      1.19806     1345.59   5.98         1418.41   5.98         149.708   5.98         
1 1 1 11  7  5  o 19 12.471       0.724695    799.331   -152.92      780.174   -152.92      60.911    -152.92      
1 1 1 11  7  6  o 18 1.95656      0.338159    1212.53   105.781      622.596   -74.2193     804.886   -74.2193     
1 1 1 11  7  7  o 16 2.40569      0.399922    138.391   -71.2924     68.4799   108.708      89.9685   108.708      
1 1 1 11  7  8  o 17 8.10751      0.403267    573.652   -96.2702     431.233   -96.2702     14.1982   83.7298      
1 1 1 11  7  9  o 9  1.32329      0.303639    451.507   -73.9782     271.511   106.022      317.793   106.022      
1 1 1 11  7  10 o 8  39.007       2.15169     1796.38   -101.226     1812.71   -101.226     166.371   -101.226     
1 1 1 11  7  11 f 0  23.6077      0.936783    1558.65   72.1691      921.282   72.1691      203.501   -107.831     
1 1 1 11  7  12 o 7  20.0824      0.83167     1336.98   -108.333     1034.13   -108.333     73.2372   71.6671      
1 1 1 11  7  13 o 11 48.8927      1.77059     1190.13   -174.754     2551.22   -174.754     737.743   -174.754     
1 1 1 11  7  14 o 6  5.4514       0.482093    177.618   43.5679      39.5982   43.5679      60.8252   -136.432     
1 1 1 11  7  15 o 17 15.7777      0.833162    1180.18   -94.7726     728.679   -94.7726     168.446   85.2274      
1 1 1 11  7  16 o 5  2.07669      0.684009    472.699   165.851      183.647   -14.1495     305.816   -14.1495     
1 1 1 11  7  17 o 11 1.21018      0.344445    321.104   151.045      ?         ?            ?         ?            
1 1 1 11  7  18 o 16 3.15331      0.466719    180.126   -67.8138     97.3044   -67.8138     32.9729   112.186      
1 1 1 11  7  19 o 6  1.23747      0.358192    230.262   179.194      28.1267   179.194      83.8885   -0.805783    
1 1 1 11  7  20 o 2  1.86716      0.381904    296.788   -123.846     236.369   -123.846     0.0878146 -123.846     
1 1 1 11  7  21 o 2  3.47631      0.504493    387.713   98.7985      612.293   98.7985      157.224   98.7985      
1 1 1 11  9  0  o 3  16.9051      0.910136    1458.04   -149.27      801.101   -149.27      185.38    30.7299      
1 1 1 11  9  1  o 11 1.14629      0.183849    588.177   -132.955     345.221   47.0452      408.752   47.0452      
1 1 1 11  9  2  o 19 2.211        0.332143    679.805   -81.1684     490.457   98.8316      517.787   98.8316      
1 1 1 11  9  3  o 18 1.7014       0.313013    535.402   -156.458     191.613   23.5422      310.297   23.5422      
1 1 1 11  9  4  o 6  4.50962      0.473312    511.844   -57.7664     10.9117   -57.7664     199.861   122.234      
1 1 1 11  9  5  o 1  10.6052      0.55803     1138.2    -133.279     445.622   -133.279     236.234   46.7214      
1 1 1 11  9  6  o 15 16.2001      0.816218    769.094   24.1069      932.409   24.1069      152.4     24.1069      
1 1 1 11  9  7  o 2  0.679218     0.236508    407.354   150.301      ?         ?            ?         ?            
1 1 1 11  9  8  o 6  1.10479      0.267319    353.625   166.564      241.646   -13.4356     271.655   -13.4356     
1 1 1 11  9  9  o 4  8.02739      0.557294    533.935   15.1088      357.838   15.1088      55.1649   -164.891     
1 1 1 11  9  10 o 13 1.2689       0.309297    522.778   -30.1693     336.126   149.831      402.519   149.831      
1 1 1 11  9  11 o 10 9.48952      0.707113    474.241   -34.3368     73.9907   145.663      252.15    145.663      
1 1 1 11  9  12 o 17 1.20416      0.342454    146.469   -172.553     ?         ?            ?         ?            
1 1 1 11  9  13 o 18 0.4519       0.276185    410.195   22.5938      ?         ?            ?         ?            
1 1 1 11  9  14 o 5  3.1454       0.639168    627.835   24.8408      274.311   -155.159     421.278   -155.159     
1 1 1 11  9  15 o 15 0.570564     0.324973    229.121   -142.518     166.699   37.482       188.209   37.482       
1 1 1 11  9  16 o 4  0.217866     0.29023     408.504   133.079      ?         ?            ?         ?            
1 1 1 11  9  17 f 0  2.34558      0.43876     265.216   177.808      270.678   177.808      19.53     177.808      
1 1 1 11  9  18 o 19 1.90995      0.361415    150.747   51.9934      140.927   51.9934      9.09175   51.9934      
1 1 1 11  9  19 o 12 5.53476      0.505272    496.695   29.6454      717.232   29.6454      164.108   29.6454      
1 1 1 11  9  20 o 9  0.227157     0.355403    321.36    -144.671     79.5726   35.3293      160.296   35.3293      
1 1 1 11  11 0  o 12 32.9793      1.44475     1362.7    -108.827     1601.76   -108.827     216.891   -108.827     
1 1 1 11  11 1  o 11 4.94543      0.646727    411.365   -126.237     71.0862   -126.237     141.357   53.7627      
1 1 1 11  11 2  o 7  10.553       0.637373    1062.11   -15.9114     367.723   -15.9114     275.844   164.089      
1 1 1 11  11 3  o 16 5.30955      0.447528    736.002   -7.15867     62.8568   -7.15867     290.054   172.841      
1 1 1 11  11 4  o 17 5.80912      0.555326    500.511   106.413      135.566   106.413      153.252   -73.587      
1 1 1 11  11 5  o 19 0.802452     0.265672    985.236   83.8515      703.181   -96.1485     791.665   -96.1485     
1 1 1 11  11 6  o 19 0.33634      0.205608    710.658   -69.8538     628.08    110.146      634.561   110.146      
1 1 1 11  11 7  o 1  2.40665      0.510475    638.298   137.3        182.396   -42.6996     380.766   -42.6996     
1 1 1 11  11 8  o 11 1.66417      0.357176    1056.5    178.825      573.446   -1.17549     766.366   -1.17549     
1 1 1 11  11 9  o 14 1.85541      0.342386    325.516   -55.5245     186.572   124.475      240.593   124.475      
1 1 1 11  11 10 o 14 7.09207      0.508848    744.41    79.6005      356.323   79.6005      157.691   -100.399     
1 1 1 11  11 11 o 10 1.57337      0.3874      528.885   108.657      ?         ?            ?         ?            
1 1 1 11  11 12 o 10 0.874665     0.342897    229.276   73.1354      189.922   -106.865     199.586   -106.865     
1 1 1 11  11 13 o 6  1.79488      0.461783    523.174   -46.8806     0.574257  -46.8806     239.744   133.119      
1 1 1 11  11 14 o 5  0.844697     0.325075    190.826   -100.925     ?         ?            ?         ?            
1 1 1 11  11 15 o 1  0.649317     0.347017    254.614   -72.1702     ?         ?            ?         ?            
1 1 1 11  11 16 o 4  -0.0263048   0.27679     242.333   16.286       171.215   -163.714     183.342   -163.714     
1 1 1 11  11 17 o 1  1.85289      0.406589    364.205   0.704685     182.638   0.704685     51.1039   -179.295     
1 1 1 11  11 18 o 12 1.80229      0.499523    482.359   175.723      257.394   175.723      52.4383   -4.27729     
1 1 1 11  13 0  o 7  1.308        0.324119    268.494   -128.238     127.213   51.7618      185.107   51.7618      
1 1 1 11  13 1  o 9  5.01504      0.485277    837.394   13.9063      141.495   13.9063      308.022   -166.094     
1 1 1 11  13 2  o 13 2.1934       0.398621    460.757   -154.494     73.9047   25.5061      245.19    25.5061      
1 1 1 11  13 3  o 15 1.547        0.30161     646.008   -140.815     ?         ?            ?         ?            
1 1 1 11  13 4  o 10 2.3768       0.445294    104.333   -71.4262     5.05011   -71.4262     44.5449   108.574      
1 1 1 11  13 5  o 7  5.76022      0.6231      770.075   75.7666      364.045   75.7666      165.513   -104.233     
1 1 1 11  13 6  o 4  5.39561      0.503935    330.625   -83.7799     365.374   -83.7799     33.1176   -83.7799     
1 1 1 11  13 7  f 0  3.1515       0.405713    464.1     -30.4624     169.123   -30.4624     126.439   149.538      
1 1 1 11  13 8  o 16 0.926641     0.385146    239.972   116.291      144.738   -63.7085     182.158   -63.7085     
1 1 1 11  13 9  o 4  2.35371      0.376914    397.278   162.752      90.0198   162.752      137.275   -17.2481     
1 1 1 11  13 10 o 14 2.35365      0.409557    318.541   131.11       30.0972   131.11       129.834   -48.8898     
1 1 1 11  13 11 o 8  2.06596      0.355733    262.029   -92.6484     178.898   -92.6484     26.3785   87.3516      
1 1 1 11  13 12 o 5  0.446482     0.318268    274.977   -70.5256     152.149   109.474      192.057   109.474      
1 1 1 11  13 13 o 17 1.72453      0.371559    266.322   -142.568     183.971   -142.568     15.2392   37.4316      
1 1 1 11  13 14 o 14 0.931087     0.36775     412.522   169.063      87.6316   -10.9374     205.639   -10.9374     
1 1 1 11  13 15 o 10 1.81665      0.371634    378.695   -177.257     337.756   -177.257     24.6875   -177.257     
1 1 1 11  15 0  o 15 4.58126      0.60791     608.303   -123.039     400.813   -123.039     77.2478   56.9605      
1 1 1 11  15 1  o 7  1.59607      0.435376    201.631   -93.7538     65.2759   -93.7538     59.2577   86.2462      
1 1 1 11  15 2  o 19 0.618114     0.335656    201.653   46.8317      118.896   -133.168     151.041   -133.168     
1 1 1 11  15 3  o 12 0.516398     0.375783    280.334   36.6843      164.133   -143.316     208.586   -143.316     
1 1 1 11  15 4  o 19 2.43337      0.589286    401.086   -4.44253     263.567   -4.44253     47.2806   175.557      
1 1 1 11  15 5  o 2  2.59182      0.499499    36.0204   -122.637     65.936    -122.637     17.1557   -122.637     
1 1 1 11  15 6  o 11 0.998127     0.353989    256.43    102.502      13.1817   -77.4978     116.536   -77.4978     
1 1 1 11  15 7  f 0  1.47479      0.338236    359.74    81.8911      156.828   81.8911      71.4625   -98.1089     
1 1 1 11  15 8  o 13 0.392401     0.298508    127.022   -124.988     96.0176   55.0123      99.4355   55.0123      
1 1 1 11  15 9  o 17 1.0026       0.323758    445.714   162.498      22.5391   162.498      165.335   -17.5019     
1 1 1 11  15 10 o 12 0.648868     0.351429    205.949   50.0957      38.9295   -129.904     99.9141   -129.904     
1 1 1 11  15 11 o 1  0.612283     0.325864    171.379   -21.0681     25.2618   -21.0681     52.7774   158.932      
1 1 1 11  15 12 o 5  1.37038      0.399359    242.46    -8.28883     252.776   -8.28883     34.7434   -8.28883     
1 1 1 11  17 0  o 2  0.529362     0.386664    348.117   -22.4175     40.8817   157.583      155.232   157.583      
1 1 1 11  17 1  o 17 -0.115737    0.439386    336.656   115.204      141.403   -64.7956     200.754   -64.7956     
1 1 1 11  17 2  o 13 0.0105052    0.321872    118.66    121.056      55.1571   -58.9445     73.1915   -58.9445     
1 1 1 11  17 3  f 0  2.39298      0.422813    399.005   9.72924      440.714   9.72924      68.2641   9.72924      
1 1 1 11  17 4  o 12 -0.216958    0.326723    310.92    -124.472     179.723   55.5277      207.039   55.5277      
1 1 1 11  17 5  o 13 -0.291389    0.341878    265.424   -171.831     132.256   8.16927      165.649   8.16927      
1 1 1 12  0  0  o 14 8.51919      0.625446    914.068   -7.45559e-14 281.867   180          581.909   180          
1 1 1 12  0  1  o 10 9.96465      1.03437     237.285   180          ?         ?            ?         ?            
1 1 1 12  0  2  o 10 429.179      13.7773     5592.19   180          5956.59   180          293.053   180          
1 1 1 12  0  3  o 17 16.5457      1.48373     1895.78   180          606.594   1.37532e-14  1201.08   3.47298e-15  
1 1 1 12  0  4  o 8  0.997812     0.254711    331.429   0            ?         ?            ?         ?            
1 1 1 12  0  5  o 18 241.528      9.42166     3507.36   180          5332.31   180          1090.68   180          
1 1 1 12  0  6  o 3  37.0736      1.86297     2265.34   180          1282.16   180          350.131   3.27115e-14  
1 1 1 12  0  7  o 3  324.758      11.7304     5133.26   0            5566.06   0            576.173   0            
1 1 1 12  0  8  f 0  6.3484       0.756969    757.729   0            ?         ?            ?         ?            
1 1 1 12  0  9  o 19 14.5873      0.898965    603.524   0            792.822   0            141.739   0            
1 1 1 12  0  10 o 16 3.75056      0.860369    753.687   180          9.01518   4.80482e-13  317.68    6.81759e-15  
1 1 1 12  0  11 o 6  5.56222      0.944541    874.376   0            314.472   0            198.489   180          
1 1 1 12  0  12 o 2  52.5835      2.88772     1803.3    180          2588.8    180          571.479   180          
1 1 1 12  0  13 o 14 3.48408      0.465994    26.0146   0            1.34469   0            9.83784   180          
1 1 1 12  0  14 o 2  1.67315      0.424483    255.63    0            135.35    180          174.652   180          
1 1 1 12  0  15 o 18 46.9135      1.84509     543.288   180          3044.59   180          1284.08   180          
1 1 1 12  0  16 o 2  11.2389      1.68264     796.651   180          171.412   180          274.477   1.13987e-14  
1 1 1 12  0  17 o 18 34.1042      1.76161     1323.69   0            1959.57   0            379.576   0            
1 1 1 12  0  18 o 18 3.12256      0.576351    362.592   180          53.7325   180          136.717   9.77442e-15  
1 1 1 12  0  19 o 1  1.00329      0.543329    225.556   180          120.841   4.92779e-15  163.273   1.82356e-15  
1 1 1 12  0  20 o 4  0.161988     0.470313    144.162   180          ?         ?            ?         ?            
1 1 1 12  0  21 o 13 2.52494      0.629998    493.791   180          167.626   1.08134e-14  296.79    3.0537e-15   
1 1 1 12  0  22 o 14 1.15946      1.00188     366.21    180          80.1979   1.8556e-14   186.241   3.99522e-15  
1 1 1 12  0  23 o 15 0.381666     0.519626    339.7     0            246.763   180          253.625   180          
1 1 1 12  2  0  o 6  83.3146      2.42806     1377.78   118.073      2736.66   118.073      707.971   118.073      
1 1 1 12  2  1  o 5  39.1951      1.34144     888.941   174.549      1212.12   174.549      182.025   174.549      
1 1 1 12  2  2  o 8  10.8975      0.990225    1123.63   100.039      ?         ?            ?         ?            
1 1 1 12  2  3  o 13 151.88       4.01418     3913.48   167.949      2853.39   167.949      386.455   -12.0508     
1 1 1 12  2  4  o 4  51.4491      1.42024     2727.64   -84.1011     1100.28   -84.1011     683.706   95.8989      
1 1 1 12  2  5  o 5  147.391      4.50094     2144.88   67.838       3981.49   67.8381      1044.11   67.8381      
1 1 1 12  2  6  o 15 276.89       8.1824      4695.13   169.925      4865.49   169.925      400.702   169.925      
1 1 1 12  2  7  o 16 33.5251      1.33279     2195.49   172.913      1004.98   172.913      436.333   -7.08698     
1 1 1 12  2  8  o 16 48.1229      1.90697     2283.14   -65.8252     1685.55   -65.8252     125.961   114.175      
1 1 1 12  2  9  o 3  2.67858      0.281402    738.668   -59.9843     261.532   120.016      440.91    120.016      
1 1 1 12  2  10 o 1  18.7719      0.922434    849.074   -54.0693     1323.71   -54.0693     311.587   -54.0693     
1 1 1 12  2  11 o 1  6.35279      0.417216    815.994   -66.3839     358.895   -66.3839     150.443   113.616      
1 1 1 12  2  12 o 11 2.78157      0.426652    353.061   149.134      ?         ?            ?         ?            
1 1 1 12  2  13 o 13 3.80081      0.401297    997.518   -121.884     478.964   58.1161      645.444   58.1161      
1 1 1 12  2  14 o 9  95.8534      3.82378     2880.64   -107.661     2880.09   -107.661     219.92    -107.661     
1 1 1 12  2  15 o 4  57.6121      2.14045     1103.88   -132.888     2798.5    -132.888     910.454   -132.888     
1 1 1 12  2  16 o 9  66.7618      2.27647     2051.85   106.247      2512.66   106.247      325.971   106.247      
1 1 1 12  2  17 o 3  33.6282      1.36189     812.881   -11.8505     2146.33   -11.8505     705.142   -11.8505     
1 1 1 12  2  18 o 12 7.74744      0.63619     703.933   83.3242      ?         ?            ?         ?            
1 1 1 12  2  19 o 15 3.52274      0.401547    250.125   -25.7403     ?         ?            ?         ?            
1 1 1 12  2  20 o 9  13.2342      0.852367    592.616   -25.7239     1313.48   -25.7239     387.368   -25.7239     
1 1 1 12  2  21 o 17 9.20793      0.682353    989.25    -9.04226     537.152   -9.04226     151.538   170.958      
1 1 1 12  2  22 o 6  1.02397      0.381702    287.156   -146.368     215.928   33.6315      221.702   33.6315      
1 1 1 12  2  23 o 16 0.450503     0.372249    115.247   177.949      28.2899   -2.05072     57.8574   -2.05072     
1 1 1 12  4  0  o 1  139.68       3.97635     3029.75   30.3238      3153.22   30.3238      212.514   30.3238      
1 1 1 12  4  1  o 13 98.2069      2.7781      2569.71   51.4987      2171.83   51.4987      64.2988   -128.501     
1 1 1 12  4  2  o 17 260.726      6.23157     4288.81   75.8558      4952.65   75.8558      575.718   75.8558      
1 1 1 12  4  3  f 0  8.0336       0.757099    736.807   30.5223      510.324   -149.478     577.717   -149.478     
1 1 1 12  4  4  o 17 69.9457      2.4753      1438.96   17.5155      2482.38   17.5155      618.668   17.5155      
1 1 1 12  4  5  o 2  49.8827      1.86301     1663.69   54.3151      1582.42   54.3151      78.1484   54.3151      
1 1 1 12  4  6  o 9  104.992      2.92291     2840.32   100.698      2930.12   100.698      255.783   100.698      
1 1 1 12  4  7  o 19 44.4624      2.30461     1732.17   120.583      1856.85   120.583      195.856   120.583      
1 1 1 12  4  8  o 18 37.909       1.5337      1298.83   8.38975      1947.32   8.38975      430.248   8.38975      
1 1 1 12  4  9  o 2  5.72343      0.438701    560.937   -10.5538     134.167   169.446      297.893   169.446      
1 1 1 12  4  10 o 4  28.1893      0.962638    1554.12   164.478      1164.48   164.478      45.7596   -15.5225     
1 1 1 12  4  11 f 0  2.78303      0.38333     1063.66   -166.805     330.224   13.1949      591.233   13.1949      
1 1 1 12  4  12 o 17 87.5103      2.4911      2768.53   -26.7877     2822.29   -26.7877     288.31    -26.7877     
1 1 1 12  4  13 o 8  9.20279      0.716234    878.017   -71.8591     342.89    -71.8591     197.311   108.141      
1 1 1 12  4  14 o 14 31.8912      1.31328     951.137   -156.257     1926.15   -156.257     545.862   -156.257     
1 1 1 12  4  15 o 8  63.2399      2.25416     1558.17   -29.7145     2838.55   -29.7145     715.398   -29.7145     
1 1 1 12  4  16 f 0  15.3213      0.80505     511.956   22.1335      1108.27   22.1335      321.849   22.1335      
1 1 1 12  4  17 o 10 5.21436      0.427676    263.29    9.13686      ?         ?            ?         ?            
1 1 1 12  4  18 o 1  6.4265       0.605179    799.413   -162.688     351.727   -162.688     187.534   17.3125      
1 1 1 12  4  19 o 2  3.61634      0.762702    296.969   -96.1098     ?         ?            ?         ?            
1 1 1 12  4  20 o 3  8.67752      0.657692    575.213   -24.8626     892.852   -24.8626     192.808   -24.8626     
1 1 1 12  4  21 o 8  1.57953      0.41428     478.117   59.229       146.639   59.229       121.088   -120.771     
1 1 1 12  4  22 o 1  1.91651      0.525681    246.619   3.14066      326.078   3.14066      66.9279   3.14066      
1 1 1 12  4  23 o 9  1.79248      0.415993    154.918   -114.699     305.573   -114.699     93.5576   -114.699     
1 1 1 12  6  0  o 9  4.38409      0.417756    258.012   -96.3957     82.2384   83.6043      151.261   83.6043      
1 1 1 12  6  1  o 2  7.0366       0.408949    280.709   131.577      64.1256   -48.4229     151.756   -48.4229     
1 1 1 12  6  2  o 8  68.6035      3.2437      3042.19   -138.148     1780.06   -138.148     404.574   41.8515      
1 1 1 12  6  3  o 4  1.42997      0.378156    981.327   68.4337      ?         ?            ?         ?            
1 1 1 12  6  4  o 9  26.6113      1.37951     1387.34   -109.439     1314.5    -109.439     70.9459   -109.439     
1 1 1 12  6  5  o 18 1.32564      0.275521    564.479   149.325      400.607   -30.6751     437.309   -30.6751     
1 1 1 12  6  6  o 5  0.969247     0.322998    401.839   118.476      ?         ?            ?         ?            
1 1 1 12  6  7  o 6  40.3749      1.50095     1559.39   19.9571      1981.28   19.9571      351.268   19.9571      
1 1 1 12  6  8  o 17 33.8672      1.39039     1415.77   -71.4101     1892.4    -71.41       373.959   -71.41       
1 1 1 12  6  9  o 17 2.03818      0.302435    506.548   -65.1108     ?         ?            ?         ?            
1 1 1 12  6  10 o 15 24.0662      1.0577      1437.78   177.554      1327.9    177.554      84.8107   177.554      
1 1 1 12  6  11 o 17 7.58555      0.700554    593.025   77.0041      387.607   77.0041      50.7329   -102.996     
1 1 1 12  6  12 o 2  3.31222      0.492505    912.349   -108.88      536.455   71.12        658.754   71.12        
1 1 1 12  6  13 o 2  37.8406      1.34763     1545.17   15.6174      1740.36   15.6174      183.911   15.6174      
1 1 1 12  6  14 o 7  35.745       1.35923     1637.38   113.145      1556.49   113.145      36.1169   113.145      
1 1 1 12  6  15 o 2  11.4004      0.857257    1212.39   172.924      573.356   172.924      262.831   -7.07605     
1 1 1 12  6  16 o 15 6.54265      0.470736    732.116   -98.5931     259.654   81.4069      460.105   81.4069      
1 1 1 12  6  17 o 16 24.382       1.40104     1201.1    -27.3371     1532.22   -27.3371     219.684   -27.3371     
1 1 1 12  6  18 o 15 4.68289      0.56394     341.309   -6.44301     473.736   -6.44301     80.3332   -6.44301     
1 1 1 12  6  19 o 9  1.19432      0.422121    437.365   -10.0242     320.357   169.976      353.693   169.976      
1 1 1 12  6  20 o 4  4.82289      0.532094    424.565   147.788      682.415   147.788      167.396   147.788      
1 1 1 12  6  21 o 11 1.43497      0.449356    355.018   -133.276     148.548   46.7242      213.225   46.7242      
1 1 1 12  6  22 o 16 0.137608     0.378369    230.511   -30.5656     84.6345   149.434      128.747   149.434      
1 1 1 12  8  0  o 14 4.57111      0.409979    1465.99   150.757      289.803   -29.243      748.635   -29.243      
1 1 1 12  8  1  o 4  8.50511      0.584637    485.812   -90.7869     559.141   -90.7869     79.9467   -90.7869     
1 1 1 12  8  2  o 11 25.0589      1.02966     1109.38   -154.484     1605.15   -154.484     348.61    -154.484     
1 1 1 12  8  3  o 15 4.18312      0.380501    575.427   -41.5916     375.832   138.408      422.016   138.408      
1 1 1 12  8  4  o 10 32.2312      1.3147      1508.76   -171.57      1761.96   -171.57      271.313   -171.57      
1 1 1 12  8  5  o 2  12.3014      0.674586    681.443   -33.0434     938.831   -33.0434     195.719   -33.0434     
1 1 1 12  8  6  o 12 2.67739      0.374427    89.865    149.723      19.1971   -30.2768     45.6002   -30.2768     
1 1 1 12  8  7  o 17 17.9701      0.872688    1502.43   35.0257      842.409   35.0257      183.458   -144.974     
1 1 1 12  8  8  o 17 25.4953      1.27518     1436.22   5.80313      1375.35   5.80313      101.007   5.80313      
1 1 1 12  8  9  o 4  5.28656      0.536145    377.683   -76.9889     48.2631   -76.9889     134.146   103.011      
1 1 1 12  8  10 o 6  1.14972      0.272116    220.322   -38.2105     169.451   141.79       180.061   141.79       
1 1 1 12  8  11 o 10 2.13378      0.420938    48.2855   -0.714533    37.8491   179.285      40.4389   179.285      
1 1 1 12  8  12 o 12 9.1329       0.686       440.943   -24.629      415.273   -24.629      7.85107   -24.629      
1 1 1 12  8  13 o 2  15.2424      0.770897    975.395   19.3086      905.82    19.3086      10.4148   19.3086      
1 1 1 12  8  14 o 5  3.35052      0.42613     145.899   -113.691     125.108   66.3089      128.402   66.3089      
1 1 1 12  8  15 o 7  3.28634      0.511568    481.254   72.3088      117.153   72.3088      159.313   -107.691     
1 1 1 12  8  16 o 2  1.02967      0.451776    248.111   17.4084      ?         ?            ?         ?            
1 1 1 12  8  17 o 17 1.84137      0.387907    238.236   -117.094     57.2836   -117.094     79.6616   62.9062      
1 1 1 12  8  18 o 8  9.66217      0.644233    478.705   29.4698      1143.94   29.4698      366.122   29.4698      
1 1 1 12  8  19 o 8  6.0766       0.621842    588.577   -8.02489     765.525   -8.02489     146.616   -8.02489     
1 1 1 12  8  20 o 19 0.94305      0.423577    189.885   28.0919      99.7154   28.0919      23.8176   -151.908     
1 1 1 12  10 0  o 14 9.62208      0.657837    1000.18   158.781      462.657   158.781      174.746   -21.2195     
1 1 1 12  10 1  o 8  10.7121      0.580988    1493.91   177.043      319.817   177.043      448.083   -2.95684     
1 1 1 12  10 2  o 15 27.1763      1.46137     984.808   68.3282      1689.17   68.3282      441.8     68.3282      
1 1 1 12  10 3  o 10 22.7457      0.988941    1343.83   -96.7313     994.389   -96.7313     56.9482   83.2687      
1 1 1 12  10 4  o 1  9.66733      0.710186    1063.12   137.042      480.977   137.042      203.23    -42.9584     
1 1 1 12  10 5  o 3  1.76514      0.368461    380.359   19.437       201.762   -160.563     262.222   -160.563     
1 1 1 12  10 6  o 3  11.9057      0.76285     592.716   111.489      628.524   111.489      57.9227   111.489      
1 1 1 12  10 7  o 12 2.12641      0.311441    482.462   132.088      395.006   -47.9121     410.406   -47.9121     
1 1 1 12  10 8  o 9  3.90582      0.460597    679.393   -3.01274     140.275   176.987      375.1     176.987      
1 1 1 12  10 9  o 18 20.1458      0.947907    1146.66   171.978      1112.84   171.978      36.567    171.978      
1 1 1 12  10 10 o 18 6.98115      0.568704    735.494   -174.12      376.965   -174.12      145.37    5.88032      
1 1 1 12  10 11 f 0  14.6729      0.897809    1335.77   30.5118      647.704   30.5118      279.939   -149.488     
1 1 1 12  10 12 o 10 10.6218      0.665498    692.687   140.668      836.524   140.668      105.686   140.668      
1 1 1 12  10 13 o 16 1.56408      0.493435    641.029   -143.094     342.715   36.9062      462.66    36.9062      
1 1 1 12  10 14 o 11 0.180924     0.291693    475.994   91.7859      405.498   -88.2141     421.096   -88.2141     
1 1 1 12  10 15 o 7  2.33536      0.400447    275.434   56.0954      193.752   56.0954      28.0816   -123.905     
1 1 1 12  10 16 o 6  0.391686     0.295467    125.365   31.7869      ?         ?            ?         ?            
1 1 1 12  10 17 o 15 4.58079      0.579137    318.274   -141.995     714.483   -141.995     228.523   -141.995     
1 1 1 12  10 18 o 9  0.427211     0.368709    303.616   46.2225      ?         ?            ?         ?            
1 1 1 12  10 19 o 8  1.47778      0.384391    67.376    -4.40832     101.559   -4.40832     25.5194   -4.40832     
1 1 1 12  12 0  o 11 8.08767      0.833496    724.419   -116.164     377.163   -116.164     138.718   63.836       
1 1 1 12  12 1  o 7  4.78781      0.546852    935.297   -144.237     49.8664   35.7635      447.985   35.7635      
1 1 1 12  12 2  o 11 11.2171      0.690871    557.494   -7.88967     684.641   -7.88967     89.7261   -7.88967     
1 1 1 12  12 3  o 10 3.43509      0.396995    429.205   39.433       28.7514   -140.567     209.156   -140.567     
1 1 1 12  12 4  o 19 3.53508      0.391149    861.101   103.44       114.655   -76.5597     448.383   -76.5597     
1 1 1 12  12 5  o 19 1.91164      0.344726    789.778   -107.985     493.079   72.0152      604.905   72.0152      
1 1 1 12  12 6  o 10 1.79519      0.395161    253.389   102.24       115.403   -77.7597     172.409   -77.7597     
1 1 1 12  12 7  o 9  2.94247      0.376312    588.232   -135.117     493.456   44.8833      512.311   44.8833      
1 1 1 12  12 8  o 7  4.38249      0.457932    1088.35   -153.852     22.2381   26.1485      502.196   26.1485      
1 1 1 12  12 9  o 12 0.789918     0.306115    73.8183   133.457      50.1055   -46.5432     58.4872   -46.5432     
1 1 1 12  12 10 o 15 6.89609      0.748943    931.25    -55.7548     464.573   -55.7548     192.819   124.245      
1 1 1 12  12 11 o 5  4.3911       0.577098    220.527   -42.3627     405.394   -42.3627     101.503   -42.3627     
1 1 1 12  12 12 o 8  3.43439      0.451605    469.54    -165.883     311.865   -165.883     57.2355   14.1174      
1 1 1 12  12 13 o 11 0.973711     0.381426    97.0267   -131.087     38.9227   48.9132      61.8787   48.9132      
1 1 1 12  12 14 o 8  3.42063      0.48472     560.948   -65.4609     431.016   -65.4609     16.3306   114.539      
1 1 1 12  12 15 o 15 2.46714      0.571733    143.92    -102.448     185.398   -102.448     35.6782   -102.448     
1 1 1 12  12 16 o 14 4.90927      0.549173    576.523   -135.025     666.703   -135.025     110.516   -135.025     
1 1 1 12  12 17 o 10 0.264923     0.425736    157.857   102.679      92.6822   -77.3208     106.026   -77.3208     
1 1 1 12  14 0  f 0  1.04102      0.30231     813.585   137.879      410.259   -42.1212     574.518   -42.1212     
1 1 1 12  14 1  o 17 1.44449      0.340158    345.414   178.655      110.207   -1.34489     212.071   -1.34489     
1 1 1 12  14 2  o 15 0.697222     0.392778    268.722   72.5913      167.746   -107.409     206.201   -107.409     
1 1 1 12  14 3  o 3  0.857936     0.409459    577.15    -153.006     ?         ?            ?         ?            
1 1 1 12  14 4  o 14 4.71245      0.531671    288.829   66.8206      447.265   66.8206      91.4259   66.8206      
1 1 1 12  14 5  o 7  0.451713     0.283576    74.4476   -42.2352     ?         ?            ?         ?            
1 1 1 12  14 6  o 8  1.99405      0.374642    332.644   82.3002      105.742   82.3002      99.6056   -97.6998     
1 1 1 12  14 7  o 10 5.71477      0.517783    448.694   -91.3912     701.775   -91.3912     146.817   -91.3912     
1 1 1 12  14 8  o 12 1.1311       0.394179    309.712   -121.705     5.5539    -121.705     135.411   58.2946      
1 1 1 12  14 9  o 7  1.02013      0.375453    152.003   -169.439     60.6597   10.5611      95.9842   10.5611      
1 1 1 12  14 10 o 11 0.590582     0.319536    182.07    -125.578     106.004   54.4223      128.501   54.4223      
1 1 1 12  14 11 o 12 2.5411       0.454878    347.971   67.9743      414.764   67.9743      68.1289   67.9743      
1 1 1 12  14 12 o 5  0.218732     0.300524    244.289   12.8225      113.347   -167.178     152.454   -167.178     
1 1 1 12  14 13 o 6  0.424578     0.314977    357.88    -72.0974     96.4873   107.903      185.108   107.903      
1 1 1 12  14 14 o 6  0.604227     0.356258    234.361   -36.4493     42.6555   -36.4493     68.1003   143.551      
1 1 1 12  16 0  o 13 0.676118     0.339383    463.127   116.779      127.053   -63.2208     254.927   -63.2208     
1 1 1 12  16 1  o 15 0.712672     0.358537    228.474   -74.4317     28.5127   105.568      108.278   105.568      
1 1 1 12  16 2  o 5  1.20879      0.495903    323.896   73.8511      89.8816   73.8511      87.3412   -106.149     
1 1 1 12  16 3  o 19 1.8054       0.486404    425.178   -7.41947     193.016   -7.41947     75.4      172.581      
1 1 1 12  16 4  o 7  3.08257      0.443529    466.596   -16.7911     443.049   -16.7911     34.9463   -16.7911     
1 1 1 12  16 5  o 4  0.242128     0.418668    359.302   -23.8842     227.445   156.116      255.931   156.116      
1 1 1 12  16 6  o 2  0.347083     0.328415    233.57    38.6528      57.1943   -141.347     120.236   -141.347     
1 1 1 12  16 7  o 12 0.294673     0.307128    262.27    -108.548     107.226   71.4522      155.437   71.4522      
1 1 1 12  16 8  o 2  0.0934606    0.296981    346.213   140.89       140.878   -39.1099     202.231   -39.1099     
1 1 1 12  16 9  o 7  0.622746     0.323467    179.515   119.515      57.2209   119.515      38.7454   -60.4854     
1 1 1 13  1  0  o 16 22.5692      1.08752     1622.55   -43.5866     280.785   -43.5866     641.124   136.413      
1 1 1 13  1  1  o 19 71.5456      1.92832     1587.85   -73.7741     2271.33   -73.7741     373.411   -73.7741     
1 1 1 13  1  2  o 13 61.7987      2.03294     2075.44   -15.9955     1736.28   -15.9955     119.064   164.005      
1 1 1 13  1  3  o 4  1.62418      0.235267    1236.84   -133.949     1151.85   46.0509      1154.04   46.0509      
1 1 1 13  1  4  o 11 20.9482      0.995108    1351.3    109.858      397.54    109.858      417.417   -70.1415     
1 1 1 13  1  5  o 17 161.079      4.05983     3115.71   12.8562      3461.54   12.8562      347.531   12.8562      
1 1 1 13  1  6  o 5  8.46717      0.535657    1010.98   33.1449      827.145   -146.855     852.598   -146.855     
1 1 1 13  1  7  o 7  4.68522      0.443479    1612.11   68.9891      ?         ?            ?         ?            
1 1 1 13  1  8  o 5  16.5619      0.772539    1809.14   -155.363     274.27    -155.363     631.329   24.6366      
1 1 1 13  1  9  o 15 45.4214      2.78184     2005.37   145.319      1798.53   145.319      55.8954   145.319      
1 1 1 13  1  10 o 5  53.3856      1.74393     2349.31   50.1261      1945.99   50.1261      1.75113   50.1261      
1 1 1 13  1  11 o 4  7.36819      0.448766    818.869   -167.438     353.006   -167.438     155.089   12.5624      
1 1 1 13  1  12 o 6  9.67757      0.627542    726.676   120.351      621.943   120.351      19.8537   120.351      
1 1 1 13  1  13 o 7  2.11765      0.452634    291.2     -94.3447     96.7208   85.6553      166.634   85.6553      
1 1 1 13  1  14 o 3  48.1406      1.73591     2074.18   140.791      1956.01   140.791      101.971   140.791      
1 1 1 13  1  15 o 15 70.1848      2.568       1341.91   96.2861      3135.52   96.2861      974.78    96.2861      
1 1 1 13  1  16 f 0  22.4491      0.898526    735.887   -46.7304     1338.28   -46.7304     335.624   -46.7304     
1 1 1 13  1  17 o 18 29.619       1.27857     484.487   16.3018      1915.45   16.3018      738.312   16.3018      
1 1 1 13  1  18 o 1  20.0839      1.01598     1161.01   6.71747      1190.44   6.71747      71.1467   6.71747      
1 1 1 13  1  19 o 6  31.1387      1.32808     929.769   137.432      2108.53   137.432      629.248   137.432      
1 1 1 13  1  20 o 9  9.64717      0.60195     538.274   71.3232      968.791   71.3232      239.487   71.3232      
1 1 1 13  1  21 o 14 3.77468      0.630963    612.58    145.83       385.936   145.83       67.7331   -34.1697     
1 1 1 13  1  22 o 15 6.15975      0.592793    682.312   -78.6109     684.174   -78.6109     71.614    -78.6109     
1 1 1 13  1  23 o 11 3.71074      0.517237    118.59    47.9579      502.718   47.9579      206.326   47.9579      
1 1 1 13  3  0  o 13 50.1936      2.08228     2348.99   12.3405      1080.82   12.3405      550.828   -167.659     
1 1 1 13  3  1  o 15 29.7768      2.2773      996.087   -79.7187     426.51    -79.7187     246.186   100.281      
1 1 1 13  3  2  o 9  187.853      5.98807     3320.62   -44.1685     4258.84   -44.1685     617.326   -44.1685     
1 1 1 13  3  3  o 6  13.8236      0.685662    814.398   -51.4568     67.2193   -51.4568     330.951   128.543      
1 1 1 13  3  4  o 8  4.18527      0.431504    1577.95   15.7969      1026.65   -164.203     1206.87   -164.203     
1 1 1 13  3  5  o 8  37.7629      1.82144     1866.25   -99.9853     1232.24   -99.9853     191.367   80.0147      
1 1 1 13  3  6  o 16 136.302      4.19614     3259.16   23.8383      3477.24   23.8383      343.56    23.8383      
1 1 1 13  3  7  o 18 47.7104      1.87824     1863.15   163.116      1670.16   163.116      43.2862   163.116      
1 1 1 13  3  8  o 5  18.6909      0.848758    1897.41   -178.854     226.225   -178.854     686.477   1.14582      
1 1 1 13  3  9  o 16 38.3655      1.3994      1858.15   -169.969     1659.7    -169.969     57.9758   -169.969     
1 1 1 13  3  10 o 13 6.66934      0.436406    738.854   69.3802      123.224   69.3802      239.404   -110.62      
1 1 1 13  3  11 o 18 15.4146      0.605814    906.126   64.0734      1066.88   64.0734      169.817   64.0734      
1 1 1 13  3  12 o 12 0.733753     0.259696    580.058   42.4864      ?         ?            ?         ?            
1 1 1 13  3  13 o 18 52.1843      1.78515     1056.09   -140.563     2764.77   -140.563     945.189   -140.563     
1 1 1 13  3  14 o 19 7.49412      0.584868    1132.42   -87.6678     140.066   -87.6678     419.937   92.3322      
1 1 1 13  3  15 f 0  119.603      4.34771     1967.74   -94.4819     4161.29   -94.4819     1197.3    -94.4819     
1 1 1 13  3  16 o 7  39.0607      1.56514     1886.63   -74.8895     1589.15   -74.8895     62.188    105.11       
1 1 1 13  3  17 o 5  0.68096      0.333277    348.447   -99.5076     303.448   80.4924      309.066   80.4924      
1 1 1 13  3  18 o 4  5.53258      0.698657    170.584   6.68556      193.375   6.68556      19.4028   6.68556      
1 1 1 13  3  19 o 3  29.283       1.58528     1133.39   112.779      1774.37   112.779      367.169   112.779      
1 1 1 13  3  20 o 14 17.774       0.83459     597.253   139.135      1659.54   139.135      562.708   139.135      
1 1 1 13  3  21 o 3  2.55782      0.42644     392.449   -95.05       118.493   -95.05       102.77    84.95        
1 1 1 13  3  22 o 11 1.3061       0.370384    76.2678   34.5873      67.2209   34.5873      3.71041   34.5873      
1 1 1 13  3  23 o 12 1.79238      0.427208    24.2329   27.9843      47.1286   27.9843      14.4805   27.9843      
1 1 1 13  5  0  o 9  29.1315      1.5668      1674.24   113.859      845.376   113.859      302.983   -66.1406     
1 1 1 13  5  1  o 17 58.5894      2.38759     1193.92   34.006       2451.97   34.006       709.976   34.006       
1 1 1 13  5  2  o 6  20.7177      0.809518    1558.18   64.9525      632.576   64.9525      354.194   -115.047     
1 1 1 13  5  3  o 14 40.3436      1.89849     1851.29   -119.976     1512.67   -119.976     36.4072   60.0241      
1 1 1 13  5  4  o 19 9.17531      0.722059    1047.28   78.4647      ?         ?            ?         ?            
1 1 1 13  5  5  o 17 19.7694      1.08132     882.425   -66.3984     820.196   -66.3984     35.7268   -66.3984     
1 1 1 13  5  6  o 9  0.291252     0.177084    920.435   -178.833     ?         ?            ?         ?            
1 1 1 13  5  7  o 10 15.1442      0.785371    1205.07   -26.4706     868.204   -26.4706     68.3631   153.529      
1 1 1 13  5  8  o 2  13.9211      0.556026    1360.64   119.953      643.546   119.953      236.893   -60.0474     
1 1 1 13  5  9  o 3  41.8593      1.68766     1030.32   47.3135      2483.14   47.3135      825.329   47.3135      
1 1 1 13  5  10 o 13 9.36255      0.466933    349.277   82.2721      203.528   -97.7279     241.693   -97.7279     
1 1 1 13  5  11 o 17 42.5836      1.66847     1226.88   156.133      2388.26   156.133      698.111   156.133      
1 1 1 13  5  12 o 18 55.868       2.01217     1872.28   148.072      2395.62   148.072      417.933   148.072      
1 1 1 13  5  13 o 18 20.8507      1.09237     1354.93   -99.7585     1030.55   -99.7585     72.9173   80.2415      
1 1 1 13  5  14 o 7  115.059      3.36705     2816.51   -4.08847     3338.57   -4.08847     404.725   -4.08847     
1 1 1 13  5  15 o 13 54.1085      1.79434     1568.68   21.4143      2376.05   21.4143      475.633   21.4143      
1 1 1 13  5  16 o 18 1.67517      0.348251    309.106   -102.507     196.907   77.4928      238.118   77.4928      
1 1 1 13  5  17 o 4  10.1463      0.665248    889.161   118.426      727.888   118.426      38.1908   -61.5738     
1 1 1 13  5  18 o 17 3.62171      0.438039    371.912   34.3063      ?         ?            ?         ?            
1 1 1 13  5  19 o 5  2.67162      0.469188    574.229   -166.056     192.88    -166.056     163.491   13.9436      
1 1 1 13  5  20 o 8  11.6951      0.978122    848.915   4.31323      1058.97   4.31323      170.77    4.31323      
1 1 1 13  5  21 o 9  4.45701      0.52283     270.924   -96.2541     627.495   -96.2541     206.49    -96.2541     
1 1 1 13  5  22 o 2  1.02602      0.345551    193.207   175.528      123.965   175.528      11.4396   -4.47186     
1 1 1 13  7  0  o 17 28.455       1.21229     2366.18   13.722       664.04    13.722       664.322   -166.278     
1 1 1 13  7  1  o 18 8.64555      0.594905    786.558   -159.98      221.563   -159.98      219.887   20.0199      
1 1 1 13  7  2  o 4  1.45438      0.187282    334.094   67.6132      206.764   -112.387     243.385   -112.387     
1 1 1 13  7  3  o 15 11.1759      0.726493    1427.91   -121.453     406.096   -121.453     392.193   58.547       
1 1 1 13  7  4  o 6  8.755        0.763346    515.496   169.318      253.807   169.318      86.3409   -10.6824     
1 1 1 13  7  5  o 19 3.47765      0.340285    396.779   29.3689      164.421   -150.631     244.703   -150.631     
1 1 1 13  7  6  o 10 4.08774      0.373249    337.373   -106.552     24.4838   -106.552     124.399   73.4476      
1 1 1 13  7  7  o 11 19.35        0.830961    1417.95   -139.972     1100.09   -139.972     19.2046   40.0276      
1 1 1 13  7  8  o 3  42.2235      1.49296     1156.09   86.5967      2434.01   86.5967      753.529   86.5967      
1 1 1 13  7  9  o 18 37.0734      1.36531     1315.15   100.623      2087.81   100.623      510.714   100.623      
1 1 1 13  7  10 o 4  2.86898      0.426573    405.276   -85.0528     250.756   94.9472      293.96    94.9472      
1 1 1 13  7  11 o 6  24.744       1.12998     828.463   -148.057     1545.85   -148.057     415.966   -148.057     
1 1 1 13  7  12 o 2  17.357       0.875079    573.64    -66.1001     1077.89   -66.1002     283.53    -66.1002     
1 1 1 13  7  13 o 4  41.4475      1.70432     706.417   -131.36      2476.4    -131.36      917.985   -131.36      
1 1 1 13  7  14 o 6  10.9232      0.624838    903.211   32.5529      496.249   32.5529      161.367   -147.447     
1 1 1 13  7  15 o 10 7.98492      0.687961    846.203   91.7546      394.392   91.7546      184.564   -88.2454     
1 1 1 13  7  16 o 11 9.14954      0.780476    570.529   -79.0728     753.104   -79.0728     117.537   -79.0728     
1 1 1 13  7  17 o 3  12.8407      0.753254    675.017   154.654      1103.03   154.654      241.775   154.654      
1 1 1 13  7  18 o 11 7.72635      0.619361    562.923   -150.435     861.98    -150.435     178.465   -150.435     
1 1 1 13  7  19 o 18 2.34383      0.406601    353.966   29.373       289.705   29.373       3.07016   -150.627     
1 1 1 13  7  20 o 1  6.89086      0.547766    761.511   21.6773      658.563   21.6773      28.6395   21.6773      
1 1 1 13  7  21 o 8  0.33164      0.389147    239.537   -143.003     49.6513   36.997       115.659   36.997       
1 1 1 13  9  0  o 14 26.8454      1.14963     1178.3    6.99764      1542.18   6.99764      298.439   6.99764      
1 1 1 13  9  1  o 5  5.49841      0.438085    108.658   64.1985      25.2899   64.1985      30.9129   -115.801     
1 1 1 13  9  2  o 15 2.48485      0.343116    424.611   140.604      271.012   -39.3963     305.617   -39.3963     
1 1 1 13  9  3  o 8  0.443001     0.290585    416.115   11.7763      ?         ?            ?         ?            
1 1 1 13  9  4  o 3  15.2638      0.735242    1322.66   -150.128     854.995   -150.128     104.349   29.8722      
1 1 1 13  9  5  o 15 32.7863      1.31711     1669.62   84.8677      1595.92   84.8677      121.329   84.8677      
1 1 1 13  9  6  o 18 11.0531      0.702508    604.66    -160.028     706.262   -160.028     104.586   -160.028     
1 1 1 13  9  7  o 3  8.46994      0.763806    1182.47   -41.2626     280.927   -41.2626     355.934   138.737      
1 1 1 13  9  8  o 4  41.6997      1.90237     1282.92   115.743      2229.35   115.743      561.923   115.743      
1 1 1 13  9  9  o 14 48.3315      1.73448     2198.25   173.437      1774.27   173.437      84.9281   -6.56317     
1 1 1 13  9  10 o 16 11.1575      0.796675    888.346   -29.3024     655.334   -29.3024     72.7657   150.698      
1 1 1 13  9  11 o 11 21.8518      1.09534     1274.14   156.851      1226.97   156.851      34.8929   156.851      
1 1 1 13  9  12 o 13 6.18093      0.559969    902.358   54.5152      257.137   54.5152      280.008   -125.485     
1 1 1 13  9  13 o 7  1.34007      0.352954    607.433   128.456      ?         ?            ?         ?            
1 1 1 13  9  14 o 18 3.85019      0.687885    600.315   150.34       52.3155   150.34       246.214   -29.6597     
1 1 1 13  9  15 o 8  2.69711      0.424018    261.077   90.4246      92.2244   90.4246      73.612    -89.5754     
1 1 1 13  9  16 o 13 2.94528      0.413337    197.223   -65.7813     268.966   -65.7813     45.0182   -65.7813     
1 1 1 13  9  17 o 11 4.51749      0.564261    375.777   103.227      586.808   103.227      131.973   103.227      
1 1 1 13  9  18 o 1  3.83634      0.446508    381.826   -169.932     611.284   -169.932     152.166   -169.932     
1 1 1 13  9  19 o 13 1.31973      0.398494    144.429   -171.694     149.803   -171.694     18.7008   -171.694     
1 1 1 13  9  20 o 2  1.13545      0.40778     378.142   40.408       162.064   40.408       61.5731   -139.592     
1 1 1 13  11 0  o 1  10.7835      0.725669    1203.72   91.9516      384.236   91.9516      327.51    -88.0484     
1 1 1 13  11 1  o 10 7.55596      0.6943      955.265   26.5636      200.934   26.5636      313.427   -153.436     
1 1 1 13  11 2  o 4  4.90931      0.412174    529.281   -139.559     144.901   40.441       303.275   40.441       
1 1 1 13  11 3  o 14 6.48673      0.619656    860.7     103.82       210.463   103.82       273.469   -76.1799     
1 1 1 13  11 4  o 8  0.255709     0.248195    960.294   -153.61      ?         ?            ?         ?            
1 1 1 13  11 5  o 9  2.47504      0.392561    712.683   141.236      263.265   -38.7643     451.6     -38.7643     
1 1 1 13  11 6  o 11 11.8453      0.645638    1018.24   160.555      680.969   160.555      120.205   -19.4452     
1 1 1 13  11 7  f 0  11.031       0.618686    508.365   -107.304     780.79    -107.304     159.563   -107.304     
1 1 1 13  11 8  o 3  3.69805      0.38959     352.56    157.277      72.8914   157.277      123.474   -22.7226     
1 1 1 13  11 9  o 5  0.583829     0.28053     353.145   146.909      277.258   -33.0915     298.228   -33.0915     
1 1 1 13  11 10 o 15 0.917569     0.349839    484.757   116.948      308.762   -63.0521     373.084   -63.0521     
1 1 1 13  11 11 f 0  2.61652      0.506735    315.258   -22.3887     71.6354   -22.3887     107.079   157.611      
1 1 1 13  11 12 o 15 3.49149      0.553001    251.54    30.3138      178.589   30.3138      25.7951   -149.686     
1 1 1 13  11 13 o 12 2.33447      0.611345    239.536   -40.2818     172.067   -40.2818     23.6786   139.718      
1 1 1 13  11 14 o 2  0.109682     0.266687    229.663   137.47       197.714   -42.5302     201.283   -42.5302     
1 1 1 13  11 15 o 15 1.07043      0.337954    87.2301   109.953      24.3119   -70.047      48.8979   -70.047      
1 1 1 13  11 16 o 7  1.39575      0.377067    320.215   164.738      173.426   164.738      41.1043   -15.2617     
1 1 1 13  11 17 o 8  1.05635      0.357641    189.711   97.8049      17.8238   97.8049      64.8035   -82.1951     
1 1 1 13  11 18 o 15 1.0621       0.479939    74.9963   57.934       77.4046   57.934       10.5356   57.934       
1 1 1 13  13 0  o 19 3.02924      0.40974     723.399   -9.16848     73.319    170.832      363.704   170.832      
1 1 1 13  13 1  o 6  1.72619      0.350827    716.974   171.841      277.086   -8.15852     462.536   -8.15852     
1 1 1 13  13 2  o 4  1.06496      0.355208    650.197   -49.3444     350.586   130.656      468.895   130.656      
1 1 1 13  13 3  o 15 2.72805      0.352944    577.553   74.8717      73.2423   -105.128     297.23    -105.128     
1 1 1 13  13 4  o 15 6.74996      0.662175    1008.15   -28.1682     317.471   -28.1682     296.089   151.832      
1 1 1 13  13 5  f 0  4.46134      0.475304    363.63    165.812      301.152   165.812      13.6723   -14.1877     
1 1 1 13  13 6  o 5  1.23983      0.374918    660.599   -175.386     355.105   4.61445      476.959   4.61445      
1 1 1 13  13 7  f 0  8.77658      0.595576    588.643   115.061      862.607   115.061      163.01    115.061      
1 1 1 13  13 8  o 11 2.76479      0.447465    273.919   -97.4226     139.685   -97.4226     55.7058   82.5774      
1 1 1 13  13 9  o 11 0.98109      0.314188    339.017   -167.448     143.825   12.5521      227.281   12.5521      
1 1 1 13  13 10 o 17 4.88842      0.624964    143.685   141.802      344.905   141.802      107.535   141.802      
1 1 1 13  13 11 o 2  0.542503     0.332746    87.7917   133.063      60.9778   -46.9371     68.8089   -46.9371     
1 1 1 13  13 12 o 9  1.46646      0.388283    173.736   44.1203      135.1     44.1203      4.6759    -135.88      
1 1 1 13  13 13 o 2  1.3799       0.363304    492.871   100.489      80.2347   100.489      156.491   -79.5109     
1 1 1 13  13 14 o 12 0.179563     0.299641    111.373   40.7761      70.0786   -139.224     78.5025   -139.224     
1 1 1 13  13 15 f 0  0.362689     0.357344    439.976   22.9047      134.775   -157.095     233.103   -157.095     
1 1 1 13  15 0  o 12 0.177205     0.354112    122.83    -36.999      82.59     143.001      97.1684   143.001      
1 1 1 13  15 1  o 10 3.87715      0.603915    135.938   98.6307      303.928   98.6307      90.2589   98.6307      
1 1 1 13  15 2  o 6  0.944439     0.351011    379.547   -121.506     76.3731   58.4941      209.696   58.4941      
1 1 1 13  15 3  o 15 1.85092      0.443777    240.778   -150.473     141.784   -150.473     37.0455   29.5269      
1 1 1 13  15 4  o 4  1.6366       0.370293    414.215   -86.6119     115.793   -86.6119     125.42    93.3881      
1 1 1 13  15 5  o 13 2.67952      0.531138    454.571   162.088      321.376   162.088      36.7197   -17.9121     
1 1 1 13  15 6  o 9  0.667182     0.319904    207.721   -108.882     46.4576   71.1183      111.214   71.1183      
1 1 1 13  15 7  o 10 0.90708      0.302266    115.302   126.554      20.2236   126.554      37.3642   -53.4461     
1 1 1 13  15 8  o 11 0.280777     0.298497    150.121   66.408       ?         ?            ?         ?            
1 1 1 13  15 9  o 4  1.03583      0.345086    278.601   -58.4598     29.962    -58.4598     94.8382   121.54       
1 1 1 13  15 10 o 10 0.0140309    0.260591    176.355   -175.131     127.033   4.86874      132.039   4.86874      
1 1 1 13  15 11 o 15 -0.353212    0.217132    99.3441   -148.801     68.0752   31.1995      71.5759   31.1995      
1 1 1 13  17 0  o 12 0.495837     0.469209    204.893   -119.042     3.02371   -119.042     77.4154   60.9575      
1 1 1 13  17 1  o 14 0.599497     0.581568    239.777   -150.16      21.8326   -150.16      81.1726   29.8399      
1 1 1 13  17 2  o 9  0.151264     0.337434    151.098   162.323      50.1514   -17.6772     82.7612   -17.6772     
1 1 1 13  17 3  o 19 1.31716      0.347221    545.549   144.767      131.016   144.767      140.874   -35.2333     
1 1 1 13  17 4  o 8  0.289973     0.357276    238.593   95.2211      32.4061   -84.7789     105.661   -84.7789     
1 1 1 13  17 5  o 7  0.367024     0.355558    149.303   13.9392      0.24276   13.9392      56.4504   -166.061     
1 1 1 14  0  0  o 3  165.401      5.87882     2293.03   -6.26037e-14 4558.12   3.03134e-14  1175.52   1.17542e-13  
1 1 1 14  0  1  o 1  404.367      15.8109     4179.79   0            7028.49   0            1510.6    0            
1 1 1 14  0  2  o 15 4.22253      0.557482    308.877   180          ?         ?            ?         ?            
1 1 1 14  0  3  o 4  19.1918      1.81411     1151.2    180          165.359   180          453.774   9.57366e-15  
1 1 1 14  0  4  f 0  55.8028      1.84214     1899.96   180          1652.81   180          37.1661   3.19057e-13  
1 1 1 14  0  5  o 1  190.083      7.36945     3751.06   0            4236.22   0            457.345   0            
1 1 1 14  0  6  o 2  425.988      15.5073     5086.9    180          7029.57   180          1309.68   180          
1 1 1 14  0  7  o 2  246.87       9.45007     4080.05   180          4869.35   180          688.864   180          
1 1 1 14  0  8  o 11 4.02789      0.604502    131.389   0            ?         ?            ?         ?            
1 1 1 14  0  9  o 7  115.767      4.73677     3469.29   180          3080.15   180          82.7469   180          
1 1 1 14  0  10 o 5  17.905       1.21293     1346.92   0            1145.18   0            16.7093   0            
1 1 1 14  0  11 o 15 106.272      11.5199     2411.01   180          3675.22   180          862.724   180          
1 1 1 14  0  12 o 17 11.1267      0.946591    482.562   0            459.909   0            36.6207   0            
1 1 1 14  0  13 o 13 1.24661      0.389022    472.728   180          ?         ?            ?         ?            
1 1 1 14  0  14 o 8  42.2954      2.05979     1240.7    0            2564.79   0            756.519   0            
1 1 1 14  0  15 o 1  6.61657      0.611334    1084.98   180          80.9366   180          440.33    8.30644e-15  
1 1 1 14  0  16 o 9  0.833744     0.762389    272.814   180          246.228   3.50087e-17  246.842   1.74608e-17  
1 1 1 14  0  17 o 16 1.96229      0.514172    40.8219   180          21.1722   5.2306e-15   29.0636   1.90519e-15  
1 1 1 14  0  18 o 18 2.87421      0.590657    555.524   0            81.7371   0            209.994   180          
1 1 1 14  0  19 o 4  170.902      8.39848     2725.95   0            4536.41   0            1020.93   0            
1 1 1 14  0  20 f 0  1.18049      0.561041    36.1087   0            27.0433   180          29.9092   180          
1 1 1 14  0  21 f 0  3.92451      0.643229    988.582   0            162.056   0            337.138   180          
1 1 1 14  0  22 o 11 6.09396      0.842511    163.377   180          863.808   180          367.308   180          
1 1 1 14  0  23 o 11 0.927606     0.54458     97.9058   180          ?         ?            ?         ?            
1 1 1 14  2  0  o 1  187.796      7.74416     3187.02   -150.718     3871.67   -150.718     425.794   -150.718     
1 1 1 14  2  1  o 11 244.234      14.4124     3617.83   38.3716      4803.88   38.3716      699.472   38.3716      
1 1 1 14  2  2  o 19 284.953      8.12677     3421.83   57.087       5872.61   57.087       1347.11   57.087       
1 1 1 14  2  3  o 18 68.9589      2.80817     1703.84   -146.957     2095.95   -146.957     271.644   -146.957     
1 1 1 14  2  4  o 1  16.6584      0.755036    1763.87   -170.849     ?         ?            ?         ?            
1 1 1 14  2  5  o 13 33.1185      1.29015     1387.72   26.5654      1145.86   26.5654      32.7959   -153.435     
1 1 1 14  2  6  f 0  45.3758      1.62826     1860.47   -60.5274     1720.79   -60.5274     60.3514   -60.5274     
1 1 1 14  2  7  f 0  41.5508      1.91281     1450.13   -167.632     1685.27   -167.632     224.645   -167.632     
1 1 1 14  2  8  o 7  170.29       5.01448     3378.48   78.7268      4291.14   78.7268      716.845   78.7268      
1 1 1 14  2  9  o 10 17.8372      0.749391    479.656   -14.3419     826.703   -14.3419     213.056   -14.3419     
1 1 1 14  2  10 o 1  45.1244      1.53        1830.75   -169.424     2066.62   -169.424     283.333   -169.424     
1 1 1 14  2  11 o 4  21.3578      1.06215     1499.27   117.599      1078.9    117.599      63.7555   -62.4013     
1 1 1 14  2  12 o 2  8.37101      0.532777    819.392   17.8591      359.966   17.8591      148.869   -162.141     
1 1 1 14  2  13 o 18 4.51346      0.420973    541.55    64.4554      43.5269   64.4554      200.727   -115.545     
1 1 1 14  2  14 o 5  2.90406      0.462286    322.441   116.278      ?         ?            ?         ?            
1 1 1 14  2  15 o 17 27.7209      1.18161     622.981   -152.219     1676.72   -152.219     560.014   -152.219     
1 1 1 14  2  16 f 0  20.014       1.25963     1106.62   -140.369     980.328   -140.369     12.3251   39.6313      
1 1 1 14  2  17 o 1  21.5008      1.29045     951.595   159.073      1419.25   159.073      279.56    159.073      
1 1 1 14  2  18 o 2  63.5872      2.11028     1498.86   -131.86      2939.32   -131.86      791.631   -131.86      
1 1 1 14  2  19 o 2  60.2189      1.81135     1262.83   -107.169     3045.14   -107.169     943.568   -107.169     
1 1 1 14  2  20 o 2  1.23715      0.475621    418.662   142.453      136.824   -37.5471     256.827   -37.5471     
1 1 1 14  2  21 o 17 10.9918      0.7623      541.757   177.771      1260.92   177.771      404.794   177.771      
1 1 1 14  2  22 o 10 0.575621     0.384692    71.2602   59.0524      ?         ?            ?         ?            
1 1 1 14  2  23 o 6  3.80776      0.653294    567.06    -100.289     511.219   -100.289     42.9694   -100.289     
1 1 1 14  4  0  o 6  64.6781      2.57451     2482.76   -111.277     1613.87   -111.277     297.102   68.7233      
1 1 1 14  4  1  o 11 18.6957      0.989371    344.242   -142.415     59.4727   37.5852      181.973   37.5852      
1 1 1 14  4  2  o 6  28.6197      1.31927     1090.97   91.4481      911.272   91.4481      22.6408   -88.5519     
1 1 1 14  4  3  f 0  1.46257      0.489421    661.837   90.4186      ?         ?            ?         ?            
1 1 1 14  4  4  o 1  55.719       2.18886     1701.59   -175.766     1795.11   -175.766     165.783   -175.766     
1 1 1 14  4  5  o 11 78.6714      2.48962     2068.95   -126.495     2855.21   -126.495     544.114   -126.495     
1 1 1 14  4  6  o 2  46.3179      2.27474     2008.54   -72.2353     1626.64   -72.2353     39.4016   107.765      
1 1 1 14  4  7  o 11 39.4603      1.55267     1462.63   -142.377     1767.09   -142.377     267.321   -142.377     
1 1 1 14  4  8  o 14 31.6526      1.30641     1434.77   114.444      1602.28   114.444      204.307   114.444      
1 1 1 14  4  9  f 0  29.7332      1.13011     1149.93   -80.4915     1819.94   -80.4915     439.987   -80.4915     
1 1 1 14  4  10 o 12 8.55804      0.462848    678.509   -27.5198     ?         ?            ?         ?            
1 1 1 14  4  11 o 2  30.527       1.17332     1283.54   -88.0562     1804.93   -88.0562     387.619   -88.0562     
1 1 1 14  4  12 o 11 50.2617      2.17604     2065.1    111.792      2009.77   111.792      160.271   111.792      
1 1 1 14  4  13 o 12 16.9714      0.825336    912.969   70.7582      1070.6    70.7582      147.044   70.7582      
1 1 1 14  4  14 o 4  7.49348      0.58015     103.7     -57.9431     91.7893   -57.9431     0.0634521 122.057      
1 1 1 14  4  15 o 7  9.73663      0.575908    950.034   -41.5356     547.979   -41.5356     156.649   138.464      
1 1 1 14  4  16 o 11 14.8341      0.738724    494.591   64.0624      1083.58   64.0624      317.737   64.0624      
1 1 1 14  4  17 o 8  7.7838       0.670647    518.021   -160.172     636.708   -160.172     84.6053   -160.172     
1 1 1 14  4  18 f 0  1.70592      0.457127    47.5865   -92.4764     11.0574   87.5236      27.2389   87.5236      
1 1 1 14  4  19 o 3  10.641       1.20745     290.405   110.48       1115.36   110.48       424.924   110.48       
1 1 1 14  4  20 o 6  12.6038      0.73875     875.008   -163.962     1087.83   -163.962     164.787   -163.962     
1 1 1 14  4  21 o 18 2.23655      0.445653    269.119   -23.635      255.988   -23.635      20.0734   -23.635      
1 1 1 14  4  22 o 6  7.84997      0.736991    460.969   -125.962     1084.73   -125.962     364.35    -125.962     
1 1 1 14  6  0  o 19 144.454      4.75608     2910.64   -152.391     3661.64   -152.391     591.33    -152.391     
1 1 1 14  6  1  o 4  69.4442      2.01604     1297.23   -32.8145     2973.7    -32.8145     935.053   -32.8145     
1 1 1 14  6  2  o 9  19.1926      1.38779     833.753   -49.5521     1020.13   -49.5521     156.129   -49.5521     
1 1 1 14  6  3  o 10 16.4325      0.931194    897.692   -29.5399     522.544   -29.5399     118.625   150.46       
1 1 1 14  6  4  o 13 26.8591      1.25607     1997.36   71.1024      1008.3    71.1024      336.991   -108.898     
1 1 1 14  6  5  o 5  12.6184      0.76505     912.258   68.5712      699.386   68.5712      31.5209   -111.429     
1 1 1 14  6  6  o 19 75.208       2.59943     1942.15   -105.965     3073.99   -105.965     734.529   -105.965     
1 1 1 14  6  7  o 17 2.08239      0.300217    179.542   119.724      123.977   -60.2757     135.149   -60.2757     
1 1 1 14  6  8  f 0  2.77574      0.460116    159.639   17.4072      ?         ?            ?         ?            
1 1 1 14  6  9  o 11 21.4384      0.871144    1237.87   56.7284      1097.1    56.7284      52.5441   56.7284      
1 1 1 14  6  10 o 18 13.708       0.806573    550.002   107.86       926.856   107.86       240.603   107.86       
1 1 1 14  6  11 o 7  18.5         1.34264     1176.75   -172.384     1043.99   -172.384     31.5076   -172.384     
1 1 1 14  6  12 f 0  3.21356      0.356196    923.216   -169.594     314.277   10.4064      557.044   10.4064      
1 1 1 14  6  13 o 14 15.4904      0.779505    776.219   145.477      924.95    145.477      114.959   145.477      
1 1 1 14  6  14 o 13 26.1559      1.13842     1522.21   -127.276     1132.86   -127.276     124.654   52.7241      
1 1 1 14  6  15 o 19 17.5891      0.861492    1287.73   4.80692      986.472   4.80692      89.4152   -175.193     
1 1 1 14  6  16 o 12 5.30835      0.470051    809.162   97.3417      142.36    97.3417      294.096   -82.6583     
1 1 1 14  6  17 o 18 1.14826      0.385515    399.479   104.046      ?         ?            ?         ?            
1 1 1 14  6  18 o 4  15.6451      1.03926     603.082   151.169      1471.02   151.169      459.777   151.169      
1 1 1 14  6  19 o 12 1.93039      0.398915    332.939   -137.295     163.849   -137.295     62.9679   42.7052      
1 1 1 14  6  20 o 18 2.01366      0.394161    340.022   -36.266      217.97    -36.2659     28.1535   143.734      
1 1 1 14  6  21 o 13 1.14516      0.397691    397.905   22.504       58.8578   22.504       125.19    -157.496     
1 1 1 14  8  0  o 8  0.715735     0.302815    607.739   -143.503     391.692   36.4971      444.906   36.4971      
1 1 1 14  8  1  o 17 6.35218      0.605452    565.828   -59.9867     329.684   -59.9867     66.4856   120.013      
1 1 1 14  8  2  o 1  1.87146      0.318685    471.827   29.1931      311.096   -150.807     347.64    -150.807     
1 1 1 14  8  3  o 5  7.38277      0.574154    828.276   55.7352      238.225   55.7352      216.241   -124.265     
1 1 1 14  8  4  o 14 28.6255      1.12387     2116.37   -6.27894     1096.22   -6.27894     303.786   173.721      
1 1 1 14  8  5  o 5  5.94584      0.442211    345.96    -131.87      151.418   -131.87      62.9683   48.1299      
1 1 1 14  8  6  o 2  4.71028      0.465016    398.279   114.92       73.8545   114.92       122.791   -65.0799     
1 1 1 14  8  7  f 0  5.29401      0.433432    932.891   80.334       25.1632   -99.666      389.853   -99.666      
1 1 1 14  8  8  o 17 21.1736      0.888877    1619.05   -135.995     654.639   -135.995     339.791   44.0053      
1 1 1 14  8  9  o 10 4.97469      0.839154    749.829   22.0479      22.0241   -157.952     328.742   -157.952     
1 1 1 14  8  10 o 5  17.4591      0.928757    1415.93   -148.307     830.279   -148.307     204.081   31.693       
1 1 1 14  8  11 o 11 11.6793      0.576843    1011.37   -30.8534     441.128   -30.8534     233.218   149.147      
1 1 1 14  8  12 o 11 7.77206      0.644001    756.607   -41.7345     185.437   -41.7345     250.716   138.265      
1 1 1 14  8  13 o 3  7.65751      0.571011    1202.68   -131.086     45.7705   -131.086     521.911   48.9139      
1 1 1 14  8  14 o 18 5.70217      0.585036    163.202   -161.71      34.7965   -161.71      56.2262   18.2902      
1 1 1 14  8  15 o 7  5.21724      0.922549    335.749   -147.141     384.282   -147.141     39.6834   -147.141     
1 1 1 14  8  16 o 1  8.42181      0.640536    485.613   102.684      898.276   102.684      226.326   102.684      
1 1 1 14  8  17 o 4  1.14482      0.382029    252.915   22.9644      ?         ?            ?         ?            
1 1 1 14  8  18 o 16 3.07823      0.443323    133.952   -76.4329     218.952   -76.4329     52.9139   -76.4329     
1 1 1 14  8  19 o 15 1.93289      0.453381    562.406   178.171      87.6012   178.171      179.56    -1.82929     
1 1 1 14  8  20 o 5  0.771694     0.423964    452.29    -135.059     4.48915   -135.059     171.419   44.9413      
1 1 1 14  10 0  o 13 10.8485      0.630999    1176.67   -36.0629     473.9     -36.0629     243.422   143.937      
1 1 1 14  10 1  o 13 21.6426      2.77695     888.703   -66.0078     1347.71   -66.0078     309.941   -66.0078     
1 1 1 14  10 2  o 13 31.8229      1.4319      1693.5    -64.3457     1477.12   -64.3457     41.0021   -64.3457     
1 1 1 14  10 3  o 17 14.1405      0.762227    988.165   6.17073      835.409   6.17073      6.87813   6.17073      
1 1 1 14  10 4  o 15 20.4065      1.25682     1194.95   -4.44403     1160.9    -4.44403     77.0942   -4.44403     
1 1 1 14  10 5  o 15 11.4204      0.756262    1267.03   111.893      400.418   111.893      342.522   -68.1072     
1 1 1 14  10 6  o 14 2.51714      0.367551    482.622   28.7342      334.769   -151.266     378.084   -151.266     
1 1 1 14  10 7  o 18 11.4598      0.869116    910.427   -131.674     661.558   -131.674     74.1059   48.3259      
1 1 1 14  10 8  o 9  2.81288      0.340008    469.221   -26.9237     316.132   153.076      369.707   153.076      
1 1 1 14  10 9  o 7  8.47526      0.631443    1204.11   -35.4856     239.97    -35.4856     426.668   144.514      
1 1 1 14  10 10 o 12 0.957366     0.331968    236.384   -153.56      154.633   26.4403      184.495   26.4403      
1 1 1 14  10 11 o 1  12.3739      0.973101    797.436   -95.0244     972.746   -95.0245     126.359   -95.0245     
1 1 1 14  10 12 o 14 4.30926      0.579949    329.725   -123.509     183.19    -123.509     57.3626   56.491       
1 1 1 14  10 13 o 2  2.35552      0.452402    99.4921   -125.452     38.8521   -125.452     25.93     54.5484      
1 1 1 14  10 14 o 8  1.9213       0.393442    400.428   -50.5268     25.2402   129.473      196.338   129.473      
1 1 1 14  10 15 o 2  1.71348      0.405864    377.576   -82.5326     82.2613   -82.5326     128.571   97.4674      
1 1 1 14  10 16 o 3  9.3901       0.714057    727.606   32.8002      931.091   32.8002      156.942   32.8002      
1 1 1 14  10 17 o 11 0.757137     0.421373    120.559   -8.50778     10.2641   171.492      53.3256   171.492      
1 1 1 14  10 18 o 7  1.48607      0.44297     220.252   175.528      16.0019   175.528      77.5196   -4.47162     
1 1 1 14  10 19 o 11 0.500229     0.378081    190.11    -82.984      16.1936   97.016       79.8994   97.016       
1 1 1 14  12 0  o 5  2.91735      0.528058    998.692   -76.2725     334.819   103.728      619.656   103.728      
1 1 1 14  12 1  o 19 6.76979      0.701489    1169.13   26.9347      19.8638   26.9347      519.954   -153.065     
1 1 1 14  12 2  o 14 0.267328     0.319183    707.369   -165.176     ?         ?            ?         ?            
1 1 1 14  12 3  o 19 2.04519      0.343383    439.3     -25.6052     375.255   154.395      387.116   154.395      
1 1 1 14  12 4  o 17 4.03847      0.433183    344.593   168.167      107.755   168.167      102.568   -11.8329     
1 1 1 14  12 5  o 17 3.31428      0.480571    201.439   -142.054     72.4589   37.9462      127.536   37.9462      
1 1 1 14  12 6  f 0  3.008        0.377637    830.622   -31.3273     205.493   148.673      478.273   148.673      
1 1 1 14  12 7  o 4  1.62814      0.335773    201.045   11.0374      ?         ?            ?         ?            
1 1 1 14  12 8  o 1  3.66552      0.486073    407.288   37.6601      197.853   37.6601      85.0042   -142.34      
1 1 1 14  12 9  o 7  0.75023      0.337838    30.2408   -142.282     24.532    37.7175      25.9974   37.7175      
1 1 1 14  12 10 o 3  12.3851      0.710833    511.705   174.864      1219.38   174.864      375.496   174.864      
1 1 1 14  12 11 o 3  0.732958     0.400398    185.504   124.74       115.781   -55.2598     142.933   -55.2598     
1 1 1 14  12 12 o 16 2.51027      0.414982    299.773   12.3193      203.786   12.3193      33.0786   -167.681     
1 1 1 14  12 13 o 6  3.6799       0.50929     635.741   51.1948      351.425   51.1948      98.0037   -128.805     
1 1 1 14  12 14 o 7  -0.0641586   0.348361    180.457   136.496      109.628   -43.5041     128.334   -43.5041     
1 1 1 14  12 15 f 0  0.127177     0.441514    51.0233   128.481      30.0532   -51.5189     35.1141   -51.5189     
1 1 1 14  12 16 o 9  2.61757      0.484378    233.669   18.1052      494.291   18.1052      157.778   18.1052      
1 1 1 14  14 0  o 16 3.84042      0.420672    840.661   56.6269      87.2562   56.6269      338.818   -123.373     
1 1 1 14  14 1  o 7  2.264        0.430628    453.347   -35.7372     50.0393   -35.7372     181.435   144.263      
1 1 1 14  14 2  f 0  0.948627     0.385341    498.863   -178.311     245.474   1.6886       350.333   1.6886       
1 1 1 14  14 3  o 14 2.25361      0.433636    706.515   -65.8356     64.9247   114.164      355.582   114.164      
1 1 1 14  14 4  o 2  4.15892      0.69073     495.641   122.681      391.345   122.681      31.5525   -57.3188     
1 1 1 14  14 5  o 9  0.489464     0.31177     226.432   164.314      195.503   -15.6861     201.648   -15.6861     
1 1 1 14  14 6  o 8  1.58715      0.37147     341.336   -58.8176     41.6734   -58.8176     135.239   121.182      
1 1 1 14  14 7  o 15 0.764306     0.358982    250.392   23.623       97.8175   -156.377     162.062   -156.377     
1 1 1 14  14 8  o 14 1.30491      0.375773    280.043   66.9644      66.4418   66.9644      90.3683   -113.036     
1 1 1 14  14 9  o 17 1.72039      0.461918    153.874   -115.086     111.722   -115.086     9.66935   64.9143      
1 1 1 14  14 10 o 13 0.366686     0.340189    467.829   23.2909      291.181   -156.709     337.033   -156.709     
1 1 1 14  14 11 o 3  3.07014      0.438634    761.295   -176.598     287.692   -176.598     158.408   3.40235      
1 1 1 14  14 12 o 10 0.725491     0.346706    242.807   -59.5338     41.0711   -59.5338     74.1676   120.466      
1 1 1 14  14 13 o 14 -0.222384    0.182732    95.365    134.55       58.4853   -45.4495     65.3079   -45.4495     
1 1 1 14  16 0  o 6  2.97217      0.433298    431.908   -21.6775     392.11    -21.6775     19.1884   -21.6775     
1 1 1 14  16 1  o 4  -0.15925     0.287876    221.906   75.7814      159.335   -104.219     170.148   -104.219     
1 1 1 14  16 2  o 15 1.48373      0.458661    504.86    -86.5884     107.49    -86.5884     150.629   93.4116      
1 1 1 14  16 3  o 3  0.864614     0.446819    308.879   -131.09      20.9672   48.9097      134.389   48.9097      
1 1 1 14  16 4  o 4  2.13673      0.4001      346.139   100.4        336.209   100.4        30.5667   100.4        
1 1 1 14  16 5  f 0  0.734988     0.351549    273.412   173.268      19.3819   -6.73248     117.402   -6.73248     
1 1 1 14  16 6  f 0  0.940975     0.435106    518.463   156.331      7.43136   -23.6694     206.275   -23.6694     
1 1 1 14  16 7  o 2  0.0607229    0.330796    266.623   35.1866      120.777   -144.813     163.202   -144.813     
1 1 1 14  16 8  o 12 1.32175      0.376863    265.409   3.54638      249.26    3.54638      24.5466   3.54638      
1 1 1 14  16 9  o 1  -0.0345119   0.315285    357.067   47.4907      154.323   -132.509     213.572   -132.509     
1 1 1 15  1  0  o 12 128.376      5.47857     2342.37   153.699      3302.54   153.699      533.508   153.699      
1 1 1 15  1  1  o 1  441.791      19.1267     5260.76   167.626      6446.19   167.626      728.579   167.626      
1 1 1 15  1  2  o 2  59.5951      2.42086     1526.2    -60.0984     2133.4    -60.0984     352.22    -60.0984     
1 1 1 15  1  3  o 15 397.585      8.77411     4446.07   21.7012      6588.87   21.7012      1253.38   21.7012      
1 1 1 15  1  4  o 12 253.717      6.07786     4057.59   -42.9347     4847.1    -42.9347     604.526   -42.9347     
1 1 1 15  1  5  o 14 92.3851      2.57489     2443.62   131.667      2728.62   131.667      293.451   131.667      
1 1 1 15  1  6  o 5  89.2832      2.39527     2281.17   7.32757      2927.25   7.32757      480.648   7.32757      
1 1 1 15  1  7  o 13 11.3617      0.656533    938.204   -107.951     300.313   -107.951     250.087   72.0486      
1 1 1 15  1  8  o 10 44.681       1.61245     1377.29   53.2463      2056.19   53.2463      445.034   53.2463      
1 1 1 15  1  9  o 5  31.9518      1.54222     1859.31   -83.6334     1238.08   -83.6334     158.616   96.3666      
1 1 1 15  1  10 o 4  20.3588      1.1825      1136.84   -148.523     1251.12   -148.523     159.017   -148.523     
1 1 1 15  1  11 o 3  88.2508      2.4709      2349.11   -20.2994     3173.27   -20.2994     640.574   -20.2994     
1 1 1 15  1  12 o 15 11.5574      0.648047    850.53    141.449      720.36    141.449      19.0255   141.449      
1 1 1 15  1  13 o 10 27.2706      1.32561     1062.12   28.1612      1514.1    28.1612      321.54    28.1612      
1 1 1 15  1  14 o 9  20.7591      0.719042    800.037   67.9639      1332.82   67.9639      323.918   67.9639      
1 1 1 15  1  15 o 3  40.392       1.82786     1665.99   -17.8719     1835.36   -17.8719     174.271   -17.8719     
1 1 1 15  1  16 o 13 11.854       0.800752    1030.76   172.311      650.626   172.311      142.681   -7.68867     
1 1 1 15  1  17 o 15 3.87997      0.418738    622.831   -140.42      140.638   39.5797      351.858   39.5797      
1 1 1 15  1  18 o 9  0.62935      0.322177    577.489   157.976      ?         ?            ?         ?            
1 1 1 15  1  19 o 10 43.9692      1.67199     1158.58   139.767      2358.92   139.767      648.352   139.767      
1 1 1 15  1  20 o 10 5.63238      0.581098    530.348   -55.6939     472.741   -55.6939     2.53186   124.306      
1 1 1 15  1  21 o 9  13.0847      0.897445    456.649   9.61511      1476.47   9.61511      547.778   9.61511      
1 1 1 15  1  22 o 17 10.2918      0.887684    361.192   18.2556      1323.22   18.2556      519.536   18.2556      
1 1 1 15  1  23 o 11 0.127886     0.317636    258.889   144.344      ?         ?            ?         ?            
1 1 1 15  3  0  o 5  40.6201      1.83008     1655.65   -148.052     1128.6    -148.052     192.599   31.9477      
1 1 1 15  3  1  o 11 103.007      3.46427     2174.02   -119.622     2843.29   -119.622     435.138   -119.622     
1 1 1 15  3  2  o 17 18.2869      0.795423    964.261   -57.8105     71.9369   122.19       468.19    122.19       
1 1 1 15  3  3  o 6  578.75       14.8928     6049.47   33.2645      7802.8    33.2645      1230.44   33.2645      
1 1 1 15  3  4  o 18 3.58478      0.366539    488.97    100.376      361.26    -79.6239     393.325   -79.6239     
1 1 1 15  3  5  o 3  58.3299      2.15313     2516.88   -163.263     1493.47   -163.263     335.206   16.7369      
1 1 1 15  3  6  o 6  24.5365      0.860383    2491.52   -147.323     53.3609   32.6774      1089.22   32.6774      
1 1 1 15  3  7  o 8  114.439      3.55208     2499      19.3403      3617.07   19.3403      749.918   19.3403      
1 1 1 15  3  8  o 8  5.78552      0.487134    1487.57   128.756      644.245   -51.2436     945.911   -51.2436     
1 1 1 15  3  9  o 19 8.12439      0.533725    444.759   18.3462      322.964   18.3462      21.9855   -161.654     
1 1 1 15  3  10 o 2  18.5959      0.848328    720.52    -133.709     1382.87   -133.709     399.784   -133.709     
1 1 1 15  3  11 o 8  6.51858      0.581693    999.126   -117.149     191.931   -117.149     304.318   62.851       
1 1 1 15  3  12 o 6  3.44325      0.382283    586.1     -75.3034     37.1443   104.697      255.914   104.697      
1 1 1 15  3  13 o 14 5.51693      0.736528    656.795   31.9931      90.293    31.9931      230.141   -148.007     
1 1 1 15  3  14 o 3  35.6561      1.68889     1007.1    -58.7891     1811.7    -58.7891     464.682   -58.7891     
1 1 1 15  3  15 o 10 33.2867      1.32431     1104.48   153.415      1743.61   153.415      373.049   153.415      
1 1 1 15  3  16 o 10 59.3504      2.1419      886.14    81.4347      2937.25   81.4347      1066.54   81.4347      
1 1 1 15  3  17 o 1  87.2931      2.93029     1925.82   62.5067      3358.96   62.5067      810.636   62.5067      
1 1 1 15  3  18 o 15 42.8769      1.63958     829.139   8.58346      2658.57   8.58346      952.325   8.58346      
1 1 1 15  3  19 o 17 2.36867      0.478053    998.28    -88.5235     363.336   91.4765      639.447   91.4765      
1 1 1 15  3  20 o 1  9.59451      0.689844    427.894   57.0956      1013.75   57.0956      318.536   57.0956      
1 1 1 15  3  21 o 17 4.24944      0.514265    333.654   -66.5408     633.873   -66.5408     181.55    -66.5408     
1 1 1 15  3  22 o 12 1.93081      0.446951    256.258   -159.846     346.826   -159.846     73.6738   -159.846     
1 1 1 15  5  0  o 13 35.9245      1.21748     1967.16   -90.7986     1061.24   -90.7986     316.922   89.2014      
1 1 1 15  5  1  o 9  204.794      6.88291     3892.16   -149.767     4328.11   -149.767     491.065   -149.767     
1 1 1 15  5  2  o 17 31.8473      1.50531     1308.51   -94.9266     969.149   -94.9266     75.9385   85.0734      
1 1 1 15  5  3  o 11 7.31945      0.404386    1398.63   -59.5415     534.391   120.459      864.036   120.459      
1 1 1 15  5  4  o 10 5.67979      0.376617    412.175   -36.2498     20.7966   -36.2498     164.791   143.75       
1 1 1 15  5  5  o 15 18.0542      1.20295     1480.28   -53.6986     807.706   -53.6986     222.147   126.301      
1 1 1 15  5  6  o 4  34.7412      1.57888     1308.21   -58.6546     1674.38   -58.6546     288.347   -58.6546     
1 1 1 15  5  7  o 18 9.2211       0.47901     1170.04   -52.7416     405.905   -52.7416     281.847   127.258      
1 1 1 15  5  8  o 9  25.5895      1.09034     1700.82   150.912      1225.88   150.912      80.6514   -29.0879     
1 1 1 15  5  9  o 5  34.6135      1.27669     1604.73   -26.12       1374.2    -26.12       41.7772   -26.12       
1 1 1 15  5  10 o 11 36.9754      1.40581     1810.57   -161.915     1681.51   -161.915     114.803   -161.915     
1 1 1 15  5  11 o 4  56.5143      1.98314     1817      58.8047      2497.05   58.8047      508.24    58.8047      
1 1 1 15  5  12 f 0  6.77159      0.475093    472.038   18.0938      264.181   18.0938      66.999    -161.906     
1 1 1 15  5  13 o 14 17.7627      1.14007     715.185   22.1616      849.518   22.1616      110.62    22.1616      
1 1 1 15  5  14 o 2  40.073       1.47219     1715.33   168.461      1622.23   168.461      36.528    168.461      
1 1 1 15  5  15 o 3  11.9802      0.674851    962.841   139.145      723.064   139.145      75.4739   -40.8549     
1 1 1 15  5  16 o 16 30.0012      1.41988     810.84    156.538      1858.04   156.538      563.105   156.538      
1 1 1 15  5  17 o 15 5.32101      0.542791    1402.55   -97.8913     530.172   82.1087      901.263   82.1087      
1 1 1 15  5  18 o 3  0.0638769    0.274229    100.031   175.255      ?         ?            ?         ?            
1 1 1 15  5  19 o 19 1.84116      0.470111    269.88    57.6764      108.619   57.6764      66.4105   -122.324     
1 1 1 15  5  20 o 17 3.17614      0.541641    72.7637   176.406      196.804   176.406      68.2466   176.406      
1 1 1 15  5  21 o 18 7.97703      0.812702    380.267   121.917      1049.81   121.917      375.454   121.917      
1 1 1 15  5  22 o 14 3.47731      0.483472    455.612   -14.091      506.622   -14.091      82.33     -14.091      
1 1 1 15  7  0  o 7  2.54367      0.33761     921.308   -6.0304      342.01    173.97       557.482   173.97       
1 1 1 15  7  1  o 8  8.48623      0.466053    633.695   176.443      404.903   176.443      62.8421   -3.55655     
1 1 1 15  7  2  o 1  2.90795      0.392262    486.94    161.098      76.9541   -18.9025     241.557   -18.9025     
1 1 1 15  7  3  o 11 2.34992      0.269977    821.037   155.729      397.402   -24.2706     539.083   -24.2706     
1 1 1 15  7  4  o 16 8.33897      0.468176    360.365   143.19       203.904   143.19       46.2149   -36.8095     
1 1 1 15  7  5  f 0  3.69369      0.374894    1535.32   -7.16845     1201.87   172.832      1225.88   172.832      
1 1 1 15  7  6  o 3  36.7637      1.22104     1534.38   15.3139      1887.78   15.3139      325.446   15.3139      
1 1 1 15  7  7  o 15 8.70313      0.544596    742.345   147.465      265.321   147.465      164.807   -32.5346     
1 1 1 15  7  8  o 18 1.12879      0.308271    922.32    176.284      703.042   -3.71631     722.308   -3.71631     
1 1 1 15  7  9  o 12 0.406505     0.23608     204.992   84.6271      ?         ?            ?         ?            
1 1 1 15  7  10 o 3  4.53141      0.545316    665.033   155.5        130.949   -24.5005     345.367   -24.5005     
1 1 1 15  7  11 o 2  9.71877      0.710177    1137.45   -77.8971     277.455   -77.8971     357.17    102.103      
1 1 1 15  7  12 o 19 10.7264      0.705464    741.408   89.9516      187.668   89.9516      238.807   -90.0484     
1 1 1 15  7  13 o 13 26.9992      1.24099     1157.08   82.3464      1592.67   82.3464      270.988   82.3464      
1 1 1 15  7  14 o 18 31.6674      1.35912     775.947   -137.264     2003.13   -137.264     650.379   -137.264     
1 1 1 15  7  15 o 5  11.0364      0.687557    712.538   -35.2741     680.538   -35.2741     18.7324   -35.2741     
1 1 1 15  7  16 o 14 7.02563      0.528201    481.851   -2.36488     726.669   -2.36488     143.799   -2.36488     
1 1 1 15  7  17 o 10 0.531978     0.353742    303.841   -140.187     171.81    39.8133      225.197   39.8133      
1 1 1 15  7  18 o 12 6.00678      0.56633     223.873   -87.5683     746.461   -87.5683     274.223   -87.5683     
1 1 1 15  7  19 o 15 4.24607      0.480854    124.248   -140.066     430.398   -140.066     164.208   -140.066     
1 1 1 15  7  20 o 6  8.5388       0.68051     170.219   -165.338     1079.66   -165.338     473.075   -165.338     
1 1 1 15  7  21 o 14 1.96651      0.695137    276.367   5.1283       112.159   5.1283       47.5469   -174.872     
1 1 1 15  9  0  o 5  10.4612      0.669666    861.866   151.485      644.395   151.485      23.1283   -28.5146     
1 1 1 15  9  1  o 15 20.2301      0.936423    831.706   5.33174      1249.61   5.33174      291.609   5.33174      
1 1 1 15  9  2  o 10 1.76334      0.34905     129.352   36.7872      59.1188   -143.213     81.4014   -143.213     
1 1 1 15  9  3  o 9  2.87774      0.348312    1082.91   150.488      331.501   -29.5122     600.683   -29.5122     
1 1 1 15  9  4  o 18 5.36541      0.4276      1253.71   81.0426      119.172   -98.9574     565.85    -98.9574     
1 1 1 15  9  5  o 15 13.4148      0.944102    898.475   -87.7549     848.65    -87.7549     57.6974   -87.7549     
1 1 1 15  9  6  o 3  15.346       0.902023    684.173   68.9762      891.632   68.9762      161.929   68.9762      
1 1 1 15  9  7  o 11 42.329       1.66625     1018.91   161.031      2348.08   161.031      741.562   161.031      
1 1 1 15  9  8  o 6  46.7255      1.78924     1832.39   -77.8335     2018.15   -77.8335     210.978   -77.8335     
1 1 1 15  9  9  o 11 6.43849      0.459518    416.952   107.32       235.542   107.32       68.1443   -72.6797     
1 1 1 15  9  10 o 1  2.9647       0.433942    384.796   -91.2721     203.896   88.7279      276.098   88.7279      
1 1 1 15  9  11 o 10 23.3146      0.980635    1520.3    -84.6943     1108.23   -84.6943     136.155   95.3057      
1 1 1 15  9  12 o 8  9.67539      0.683112    270.047   0.269027     594.434   0.269027     175.145   0.269027     
1 1 1 15  9  13 o 19 6.79754      0.531903    574.337   -50.0105     550.717   -50.0105     16.1315   -50.0105     
1 1 1 15  9  14 o 18 16.3556      1.36824     1417.97   -84.1811     798.761   -84.1811     246.122   95.8189      
1 1 1 15  9  15 o 16 6.21516      0.556989    488.715   -77.6168     657.528   -77.6168     104.517   -77.6168     
1 1 1 15  9  16 o 6  2.79932      0.501356    501.088   -153.42      279.409   -153.42      85.2953   26.5805      
1 1 1 15  9  17 o 15 3.35939      0.43713     528.344   -38.8957     432.933   -38.8957     6.33259   141.104      
1 1 1 15  9  18 o 16 3.42655      0.466167    553.666   58.0754      397.05    58.0754      21.6285   -121.925     
1 1 1 15  9  19 o 7  1.9787       0.508772    432.487   177.601      311.674   177.601      10.8666   -2.39868     
1 1 1 15  11 0  o 6  6.55741      0.566651    570.049   100.062      192.074   100.062      152.07    -79.9378     
1 1 1 15  11 1  o 10 4.36308      0.55686     786.343   -91.2108     343.765   88.7892      515.429   88.7892      
1 1 1 15  11 2  o 14 4.77723      0.530013    396.876   72.8091      317.56    -107.191     333.279   -107.191     
1 1 1 15  11 3  o 5  7.19783      0.660585    922.042   -141.379     271.977   -141.379     272.786   38.6208      
1 1 1 15  11 4  o 11 0.592357     0.259637    644.677   63.3031      ?         ?            ?         ?            
1 1 1 15  11 5  f 0  3.02579      0.334906    696.218   -93.0606     286.376   86.9394      457.211   86.9394      
1 1 1 15  11 6  o 11 1.4863       0.373611    342.018   163.535      280.81    -16.4647     295.509   -16.4647     
1 1 1 15  11 7  o 1  12.7459      0.690023    841.525   100.764      900.242   100.764      67.9876   100.764      
1 1 1 15  11 8  o 6  11.9612      0.699859    989.507   -65.762      767.166   -65.762      64.637    114.238      
1 1 1 15  11 9  o 12 2.68683      0.398972    440.81    35.5098      18.076    35.5098      189.948   -144.49      
1 1 1 15  11 10 o 16 2.82735      0.460142    359.435   -80.9254     105.593   -80.9254     109.495   99.0746      
1 1 1 15  11 11 o 7  1.99725      0.419331    411.11    -52.493      8.5492    127.507      191.17    127.507      
1 1 1 15  11 12 o 13 3.78636      0.626256    434.85    -69.6212     353.136   -69.6212     22.8192   110.379      
1 1 1 15  11 13 o 13 0.825105     0.43146     184.405   -106.083     76.4686   73.9173      122.332   73.9173      
1 1 1 15  11 14 o 4  0.900369     0.380542    225.882   86.3104      182.721   -93.6896     190.702   -93.6896     
1 1 1 15  11 15 o 5  4.32707      0.491918    396.356   20.0159      569.882   20.0159      120.833   20.0159      
1 1 1 15  11 16 o 19 0.774456     0.345553    84.2864   169.414      13.8016   169.414      26.4546   -10.5855     
1 1 1 15  11 17 o 3  0.839349     0.543898    281.801   -19.5026     68.3524   -19.5026     74.281    160.497      
1 1 1 15  13 0  o 18 2.43143      0.401863    986.604   14.8294      304.634   -165.171     597.922   -165.171     
1 1 1 15  13 1  o 1  0.687952     0.287221    616.69    160.917      423.807   -19.0833     490.326   -19.0833     
1 1 1 15  13 2  o 3  2.7927       0.390555    373.18    -29.6277     48.6163   -29.6277     144.089   150.372      
1 1 1 15  13 3  o 7  0.659754     0.377669    159.356   22.9809      128.555   -157.019     136.167   -157.019     
1 1 1 15  13 4  o 18 1.83806      0.509686    283.542   122.611      82.7079   -57.3891     169.342   -57.3891     
1 1 1 15  13 5  o 8  3.62102      0.448991    587.744   -1.60001     216.951   -1.60001     157.416   178.4        
1 1 1 15  13 6  o 19 4.07073      0.50382     159.182   45.302       199.098   45.302       27.2207   45.302       
1 1 1 15  13 7  o 19 6.94464      0.624925    399.526   -85.4438     722.579   -85.4438     178.699   -85.4438     
1 1 1 15  13 8  o 18 2.48643      0.42187     554.886   -21.5383     114.649   -21.5383     197.278   158.462      
1 1 1 15  13 9  o 9  0.665855     0.312739    425.032   41.444       ?         ?            ?         ?            
1 1 1 15  13 10 o 17 5.04265      0.638838    526.197   -70.7704     562.451   -70.7704     45.7844   -70.7704     
1 1 1 15  13 11 o 8  0.476554     0.339733    140.924   40.9523      72.4715   -139.048     96.8139   -139.048     
1 1 1 15  13 12 o 9  2.16366      0.390336    435.207   -179.158     282.89    -179.158     36.8016   0.842281     
1 1 1 15  13 13 o 19 -0.206349    0.23379     361.525   -22.3507     ?         ?            ?         ?            
1 1 1 15  13 14 o 19 0.926917     0.329315    272.338   38.8754      109.418   38.8754      50.812    -141.125     
1 1 1 15  13 15 o 10 0.507244     0.344581    300.03    -85.8053     47.7332   94.1947      136.308   94.1947      
1 1 1 15  15 0  o 11 0.700534     0.416621    64.1957   86.6913      23.114    -93.3087     40.6091   -93.3087     
1 1 1 15  15 1  o 1  5.37919      0.628731    313.545   -100.544     679.404   -100.544     198.219   -100.544     
1 1 1 15  15 2  o 15 1.14934      0.353793    643.07    -71.281      156.416   108.719      366.698   108.719      
1 1 1 15  15 3  o 6  1.47006      0.451553    373.203   46.4878      73.2001   46.4878      129.193   -133.512     
1 1 1 15  15 4  o 7  0.654112     0.352293    267.377   165.671      71.3043   -14.3294     152.673   -14.3294     
1 1 1 15  15 5  o 13 1.40337      0.43197     457.657   -14.9087     47.0743   -14.9087     172.653   165.091      
1 1 1 15  15 6  o 2  1.06315      0.431597    294.069   31.7187      5.8361    -148.281     125.795   -148.281     
1 1 1 15  15 7  o 4  0.638796     0.348201    319.877   166.548      95.0666   -13.4524     177.665   -13.4524     
1 1 1 15  15 8  o 3  0.434087     0.384477    275.693   28.7881      80.674    -151.212     150.051   -151.212     
1 1 1 15  15 9  o 13 0.358644     0.307203    159.577   -25.2642     106.387   154.736      115.786   154.736      
1 1 1 15  15 10 o 2  0.599946     0.354182    289.467   141.763      79.7517   -38.2366     151.478   -38.2366     
1 1 1 15  15 11 o 17 1.14327      0.46703     444.31    -46.9979     114.217   -46.9979     109.457   133.002      
1 1 1 15  17 0  o 14 0.442663     0.512247    75.3719   28.8287      8.21776   28.8287      24.7214   -151.171     
1 1 1 15  17 1  o 10 0.089403     0.550796    171.178   -153.168     63.5108   26.8324      96.9908   26.8324      
1 1 1 15  17 2  o 1  0.634056     0.344763    264.745   38.0074      43.6868   38.0074      78.3848   -141.993     
1 1 1 15  17 3  f 0  0.618967     0.332365    431.355   -35.238      19.8078   144.762      171.907   144.762      
1 1 1 15  17 4  o 2  0.197882     0.386181    179.605   -31.8971     36.1121   148.103      85.5043   148.103      
1 1 1 16  0  0  o 19 33.4493      2.25958     622.727   -2.98166e-13 794.48    2.22479e-13  100.836   1.75291e-12  
1 1 1 16  0  1  o 17 137.276      21.6762     3199.59   0            3382.57   0            178.948   0            
1 1 1 16  0  2  o 4  36.703       2.22603     1023.88   180          1383.55   180          214.298   180          
1 1 1 16  0  3  o 2  75.6051      4.00217     2556.96   0            2488.06   0            75.065    0            
1 1 1 16  0  4  o 16 116.031      4.03218     2280.29   180          3964.61   180          963.898   180          
1 1 1 16  0  5  o 13 105.915      3.4286      2269.12   180          3093.62   180          555.175   180          
1 1 1 16  0  6  o 11 50.4972      2.74393     1595.05   0            1896.81   0            262.185   0            
1 1 1 16  0  7  o 7  50.8517      2.46956     1068      0            2885.93   0            987.76    0            
1 1 1 16  0  8  o 13 3.81034      0.420739    730.362   0            117.83    180          367.792   180          
1 1 1 16  0  9  o 10 9.56256      1.18311     349.767   0            489.045   0            98.482    0            
1 1 1 16  0  10 o 10 2.15582      0.432767    1174.96   180          ?         ?            ?         ?            
1 1 1 16  0  11 o 1  4.43656      1.93707     138.116   180          3.87471   180          53.6147   7.5238e-15   
1 1 1 16  0  12 o 2  68.1174      2.66485     2151.1    0            2857.14   0            564.991   0            
1 1 1 16  0  13 o 16 2.09723      0.508186    328.044   180          ?         ?            ?         ?            
1 1 1 16  0  14 o 19 25.7931      1.50977     1543.62   0            1236.93   0            45.0811   180          
1 1 1 16  0  15 o 16 27.1626      2.24337     460.473   0            1526.67   0            557.318   0            
1 1 1 16  0  16 o 6  5.24476      0.633969    1256.82   0            195.164   180          668.324   180          
1 1 1 16  0  17 o 6  17.0563      1.10103     996.482   180          1299.33   180          199.465   180          
1 1 1 16  0  18 o 13 12.9726      1.01221     871.372   180          611.327   180          88.7525   5.53477e-14  
1 1 1 16  0  19 o 19 4.67236      0.639856    372.34    180          157.035   180          92.2663   1.8959e-14   
1 1 1 16  0  20 o 15 8.8728       0.900673    1045.58   180          561.848   180          188.092   2.79763e-14  
1 1 1 16  0  21 o 16 36.3373      2.63466     868.665   180          2538.85   180          909.488   180          
1 1 1 16  0  22 o 5  1.27031      0.53444     301.788   180          25.0405   5.93589e-14  130.957   5.67504e-15  
1 1 1 16  0  23 o 1  0.61793      0.501773    64.8243   0            ?         ?            ?         ?            
1 1 1 16  2  0  o 6  166.849      8.34134     3376.36   97.365       3333.31   97.365       92.9771   97.365       
1 1 1 16  2  1  o 13 31.1411      1.55301     1640.52   -106.641     656.203   -106.641     430.349   73.3594      
1 1 1 16  2  2  o 14 258.556      6.69039     4560.45   -67.4488     4482.53   -67.4488     161.865   -67.4488     
1 1 1 16  2  3  o 10 121.872      3.94025     2365.82   -89.5182     3434.48   -89.5182     657.837   -89.5182     
1 1 1 16  2  4  o 12 58.8472      1.77745     1366.83   136.833      1877.42   136.833      338.17    136.833      
1 1 1 16  2  5  f 0  2.70291      0.270808    573.533   -27.6817     ?         ?            ?         ?            
1 1 1 16  2  6  o 11 43.5919      1.6478      2253.15   48.5164      1406.94   48.5164      260.472   -131.484     
1 1 1 16  2  7  o 6  140.71       4.5106      2598.2    -120.214     4187.58   -120.214     990.186   -120.214     
1 1 1 16  2  8  o 17 17.3875      0.77598     781.296   -62.3405     1070.84   -62.3405     206.488   -62.3405     
1 1 1 16  2  9  o 2  34.7604      1.38562     1091.86   145.402      2092.15   145.402      593.277   145.402      
1 1 1 16  2  10 o 3  10.754       0.637852    904.355   -10.1263     659.198   -10.1263     38.1399   169.874      
1 1 1 16  2  11 o 14 6.57691      0.52944     963.713   -115.931     91.8767   64.0685      432.374   64.0685      
1 1 1 16  2  12 o 7  7.48438      0.464488    933.365   -169.478     360.04    -169.478     196.324   10.5223      
1 1 1 16  2  13 o 11 18.2666      0.911575    1453.17   -175.743     839.876   -175.743     184.384   4.25682      
1 1 1 16  2  14 o 16 45.298       2.00776     1365.99   122.824      2165.54   122.824      488.686   122.824      
1 1 1 16  2  15 o 17 4.9737       0.554084    896.525   51.246       388.029   -128.754     597.618   -128.754     
1 1 1 16  2  16 o 10 14.0215      0.745771    1010.27   -31.4301     649.13    -31.4301     134.11    148.57       
1 1 1 16  2  17 o 4  7.19042      0.675874    686.952   14.9767      542.681   14.9767      38.6851   -165.023     
1 1 1 16  2  18 o 3  3.45427      0.508371    935.685   18.2774      87.4188   -161.723     468.347   -161.723     
1 1 1 16  2  19 o 7  35.4515      1.37535     1047.06   28.5506      2209.95   28.5506      624.536   28.5506      
1 1 1 16  2  20 o 15 5.85735      0.583925    435.473   -111.97      624.633   -111.97      119.203   -111.97      
1 1 1 16  2  21 o 5  5.35526      0.563068    277.027   -154.237     686.363   -154.237     229.98    -154.237     
1 1 1 16  2  22 o 5  9.34556      0.690694    512.631   75.9339      1060.55   75.9339      330.117   75.9339      
1 1 1 16  2  23 o 6  5.85943      0.747246    485.462   93.0235      775.476   93.0235      203.695   93.0235      
1 1 1 16  4  0  o 18 118.107      2.90868     2444.14   163.57       3189.24   163.57       520.782   163.57       
1 1 1 16  4  1  o 1  31.3721      1.36772     890.223   -164.966     1107      -164.966     164.254   -164.966     
1 1 1 16  4  2  o 16 38.3385      1.26828     1583.21   -44.38       1303.56   -44.38       35.5898   135.62       
1 1 1 16  4  3  o 15 85.3394      3.01035     1620.78   -171.361     3198.66   -171.361     901.025   -171.361     
1 1 1 16  4  4  o 9  14.0284      0.807479    1152.81   -70.8643     263.531   -70.8643     361.587   109.136      
1 1 1 16  4  5  o 6  76.5311      2.28688     2015.06   116.843      2908.93   116.843      596.835   116.843      
1 1 1 16  4  6  o 8  15.5874      0.934812    1169.14   136.18       767.011   136.18       111.16    -43.8197     
1 1 1 16  4  7  o 7  25.6685      1.04241     1197.96   -77.2496     1434.03   -77.2496     214.871   -77.2496     
1 1 1 16  4  8  o 15 91.47        2.67825     2999.46   -54.8709     2717.89   -54.8709     120.014   -54.8709     
1 1 1 16  4  9  o 15 19.8394      0.822515    1163.92   -162.246     1045.26   -162.246     50.2505   -162.246     
1 1 1 16  4  10 o 16 127.587      3.53249     2475.58   41.783       4080.17   41.783       1047.47   41.783       
1 1 1 16  4  11 f 0  26.9163      1.30088     525.367   -9.24096     1418.78   -9.24096     497.813   -9.24096     
1 1 1 16  4  12 o 16 6.52094      0.722707    315.02    76.0778      156.663   76.0778      51.9547   -103.922     
1 1 1 16  4  13 o 7  39.486       1.72302     1845.98   -76.8362     1709.45   -76.8362     58.8931   -76.8362     
1 1 1 16  4  14 o 15 56.9502      2.34552     1192.48   51.0881      2167.92   51.0881      550.511   51.0881      
1 1 1 16  4  15 o 8  6.45644      0.566264    498.816   -165.339     120.684   -165.339     166.15    14.6611      
1 1 1 16  4  16 o 14 9.31098      0.591757    970.295   -4.86811     278.673   -4.86811     299.368   175.132      
1 1 1 16  4  17 o 15 37.745       1.45005     1029.68   -178.001     2066.74   -178.001     568.055   -178.001     
1 1 1 16  4  18 o 4  7.93693      0.911207    578.003   136.457      748.283   136.457      109.522   136.457      
1 1 1 16  4  19 o 9  1.92864      0.495296    192.294   -100.859     ?         ?            ?         ?            
1 1 1 16  4  20 o 14 16.0149      0.849121    528.095   -90.5133     1548.64   -90.5133     550.134   -90.5133     
1 1 1 16  4  21 o 1  2.32405      0.416607    411.53    92.3027      226.213   92.3027      50.0921   -87.6973     
1 1 1 16  4  22 o 16 1.30758      0.481289    186.915   132.635      101.005   132.635      20.6938   -47.3653     
1 1 1 16  6  0  o 13 15.7751      1.02102     1010.09   -15.1351     695.598   -15.1351     81.229    164.865      
1 1 1 16  6  1  o 17 23.6075      1.11788     1306.67   16.6218      1030.46   16.6218      39.0821   -163.378     
1 1 1 16  6  2  o 14 11.724       0.918772    464.659   77.4867      127.412   77.4867      132.96    -102.513     
1 1 1 16  6  3  o 7  11.7102      0.649905    779.085   70.7512      225.85    70.7512      215.586   -109.249     
1 1 1 16  6  4  o 18 12.2005      0.757248    962.056   -98.5599     613.948   -98.5599     96.2689   81.4401      
1 1 1 16  6  5  o 2  1.81077      0.210366    964.338   -116.268     ?         ?            ?         ?            
1 1 1 16  6  6  o 10 102.241      2.94702     2558.83   93.0227      3418.91   93.0227      659.461   93.0227      
1 1 1 16  6  7  o 19 11.3965      0.657107    1148.01   17.4427      383.809   17.4427      272.955   -162.557     
1 1 1 16  6  8  o 2  1.82464      0.279897    463.598   -51.3965     ?         ?            ?         ?            
1 1 1 16  6  9  o 12 75.7664      2.31704     1819.29   -164.265     3224.69   -164.265     881.766   -164.265     
1 1 1 16  6  10 o 11 27.1395      1.36457     1811.79   -42.11       1231.9    -42.11       124.356   137.89       
1 1 1 16  6  11 o 18 5.62019      0.42741     284.772   113.771      129.659   -66.2293     185.055   -66.2293     
1 1 1 16  6  12 o 9  11.22        0.551101    864.601   -35.1011     453.248   -35.1011     152.488   144.899      
1 1 1 16  6  13 o 11 19.0909      0.850145    1665.36   -65.6112     448.223   -65.6112     526.485   114.389      
1 1 1 16  6  14 o 5  30.9846      1.2451      927.938   95.2493      1943.86   95.2493      550.563   95.2493      
1 1 1 16  6  15 o 7  4.52719      0.49827     626.441   163.248      99.4531   163.248      233.226   -16.7515     
1 1 1 16  6  16 o 2  10.5268      0.91542     791.271   -81.1264     858.126   -81.1264     71.1734   -81.1264     
1 1 1 16  6  17 o 16 3.45078      0.440585    138.915   -30.3612     116.133   -30.3612     5.55899   149.639      
1 1 1 16  6  18 o 10 6.25554      0.565684    555.367   -127.947     630.111   -127.947     62.9014   -127.947     
1 1 1 16  6  19 o 11 2.34924      0.419066    338.354   -169.43      225.396   -169.43      31.6661   10.5704      
1 1 1 16  6  20 o 1  6.90296      0.718478    488.117   127.076      913.916   127.076      262.544   127.076      
1 1 1 16  6  21 o 8  4.41395      0.508074    551.009   -148.229     504.198   -148.229     40.3513   -148.229     
1 1 1 16  8  0  o 1  1.68313      0.222487    1079.79   -137.409     486.317   42.5908      683.249   42.5908      
1 1 1 16  8  1  o 13 14.5712      0.808509    1219.42   -14.6234     815.452   -14.6234     88.0558   165.377      
1 1 1 16  8  2  o 13 1.87568      0.271884    499.014   -81.4298     244.063   98.5702      324.114   98.5702      
1 1 1 16  8  3  o 11 6.29197      0.683394    312.594   -60.025      195.246   -60.025      28.3579   119.975      
1 1 1 16  8  4  o 19 25.4794      1.12165     1485.67   -173.169     1374.92   -173.169     91.2873   -173.169     
1 1 1 16  8  5  o 13 9.32561      0.641598    429.014   27.6017      561.313   27.6017      108.78    27.6017      
1 1 1 16  8  6  o 14 2.67287      0.310123    538.55    129.19       186.625   -50.8102     309.95    -50.8102     
1 1 1 16  8  7  o 1  1.14365      0.271712    746.983   91.5166      ?         ?            ?         ?            
1 1 1 16  8  8  o 5  5.05611      0.400869    371.312   99.5098      67.0626   99.5098      121.138   -80.4902     
1 1 1 16  8  9  o 5  52.1862      2.13273     1324.59   -110.65      2567.31   -110.65      715.382   -110.65      
1 1 1 16  8  10 o 4  11.7937      0.756003    834.585   24.7329      728.173   24.7329      4.78095   -155.267     
1 1 1 16  8  11 o 9  28.0631      1.02646     1324.07   104.217      1347.91   104.217      76.4121   104.217      
1 1 1 16  8  12 o 9  25.5564      0.959904    879.968   -113.418     1567.34   -113.418     384.057   -113.418     
1 1 1 16  8  13 o 14 34.0372      1.25644     946.347   118.215      1907.12   118.215      525.648   118.215      
1 1 1 16  8  14 f 0  3.92572      0.620538    429.211   133.309      56.8138   133.309      165.333   -46.6909     
1 1 1 16  8  15 o 2  1.77552      0.518838    622.58    -63.2084     262.15    116.792      414.809   116.792      
1 1 1 16  8  16 f 0  8.60505      0.676671    555.58    -28.042      862.3     -28.042      176.383   -28.042      
1 1 1 16  8  17 o 14 0.710066     0.366328    119.532   -108.506     105.333   71.4936      105.797   71.4936      
1 1 1 16  8  18 o 11 1.53853      0.41276     333.324   -28.2625     77.9202   -28.2625     99.0986   151.737      
1 1 1 16  8  19 o 11 0.701854     0.355707    305.127   88.8599      75.3565   -91.1401     157.888   -91.1401     
1 1 1 16  8  20 o 13 0.531748     0.377381    175.589   -117.744     ?         ?            ?         ?            
1 1 1 16  10 0  o 6  0.673905     0.269124    1155.03   -62.2552     798.53    117.745      874.257   117.745      
1 1 1 16  10 1  o 4  17.2921      1.05823     530.597   154.761      1114.51   154.761      338.238   154.761      
1 1 1 16  10 2  o 6  1.66173      0.284666    311.896   94.5003      ?         ?            ?         ?            
1 1 1 16  10 3  o 12 2.62589      0.269482    766.813   31.2583      ?         ?            ?         ?            
1 1 1 16  10 4  o 12 12.4307      0.795855    1673.74   -112.515     73.6954   -112.515     675.752   67.4855      
1 1 1 16  10 5  f 0  17.731       0.837917    777.042   -12.2167     1031.07   -12.2167     179.094   -12.2167     
1 1 1 16  10 6  o 3  1.69256      0.299308    846.985   -155.548     558.668   24.4522      652.706   24.4522      
1 1 1 16  10 7  o 2  4.26548      0.785553    684.21    51.2388      50.4975   -128.761     331.752   -128.761     
1 1 1 16  10 8  o 11 0.81713      0.261815    805.61    77.3722      626.761   -102.628     678.126   -102.628     
1 1 1 16  10 9  o 8  2.46039      0.332122    1113.28   -70.2348     543.666   109.765      777.391   109.765      
1 1 1 16  10 10 o 12 6.26866      0.504476    443.274   50.0913      416.762   50.0913      7.72378   50.0913      
1 1 1 16  10 11 o 11 7.8291       0.764784    1236.78   107.669      114.42    -72.3311     615.177   -72.3311     
1 1 1 16  10 12 o 12 5.64365      0.622633    404.587   166.527      449.788   166.527      41.7141   166.527      
1 1 1 16  10 13 o 17 4.04561      0.655451    513.961   -70.0418     259.614   -70.0418     105.265   109.958      
1 1 1 16  10 14 o 9  6.46533      0.595388    615.161   7.6006       675.059   7.6006       55.9084   7.6006       
1 1 1 16  10 15 o 9  3.06596      0.483772    293.031   139.883      343.381   139.883      41.7331   139.883      
1 1 1 16  10 16 o 5  1.52764      0.490469    377.449   -125.538     201.274   54.4615      257.762   54.4615      
1 1 1 16  10 17 o 15 0.225126     0.33409     278.428   -177.318     ?         ?            ?         ?            
1 1 1 16  10 18 o 1  1.44872      0.602597    351.701   -121.258     184.618   -121.258     42.8104   58.7423      
1 1 1 16  12 0  f 0  1.02213      0.316817    770.523   -121.205     504.394   58.7953      601.732   58.7953      
1 1 1 16  12 1  f 0  12.9315      0.811733    1156      55.1437      713.949   55.1437      167.703   -124.856     
1 1 1 16  12 2  o 6  3.82957      0.57525     258.982   -98.784      0.366028  81.216       117.786   81.216       
1 1 1 16  12 3  o 16 3.01393      0.415426    677.741   -91.1845     479.492   88.8155      547.491   88.8155      
1 1 1 16  12 4  o 9  12.6751      0.664826    1176.41   -32.4001     588.146   -32.4001     239.533   147.6        
1 1 1 16  12 5  o 11 3.67193      0.513083    954.712   55.1113      113.134   -124.889     488.692   -124.889     
1 1 1 16  12 6  o 16 0.584016     0.306701    220.194   113.231      ?         ?            ?         ?            
1 1 1 16  12 7  o 12 0.789673     0.309646    240.726   62.5539      179.14    -117.446     198.174   -117.446     
1 1 1 16  12 8  o 18 3.92097      0.474866    508.129   -176.525     178.995   -176.525     140.372   3.47524      
1 1 1 16  12 9  o 3  2.34588      0.475643    654.342   -99.3859     283.226   80.6141      439.654   80.6141      
1 1 1 16  12 10 o 3  8.05627      0.584224    695.046   24.4578      765.97    24.4578      64.2437   24.4578      
1 1 1 16  12 11 o 14 5.07136      0.625543    160.264   -99.5051     417.729   -99.5051     135.637   -99.5051     
1 1 1 16  12 12 o 12 1.70849      0.379313    325.319   -107.8       85.2002   -107.8       102.148   72.1999      
1 1 1 16  12 13 o 19 1.80181      0.389163    503.453   -142.17      131.566   -142.17      147.205   37.8296      
1 1 1 16  12 14 o 10 0.40278      0.340263    575.225   -97.7648     ?         ?            ?         ?            
1 1 1 16  12 15 o 4  0.605234     0.412181    143.705   175.105      1.81293   175.105      55.3334   -4.89473     
1 1 1 16  12 16 o 4  -0.262415    0.365172    33.6727   -106.102     18.9697   73.898       22.1955   73.898       
1 1 1 16  14 0  o 5  1.77389      0.361823    612.266   -159.621     111.613   20.3785      335.007   20.3785      
1 1 1 16  14 1  o 16 0.752526     0.324343    287.184   53.0192      175.649   -126.981     218.925   -126.981     
1 1 1 16  14 2  o 15 2.75362      0.510933    505.215   82.54        162.515   82.54        149.779   -97.46       
1 1 1 16  14 3  o 17 1.31801      0.386467    396.914   153.305      92.2316   -26.6949     227.995   -26.6949     
1 1 1 16  14 4  o 15 4.7092       0.60516     533.927   -43.5405     449.313   -43.5405     20.3372   136.459      
1 1 1 16  14 5  o 8  0.124517     0.426147    600.643   55.3433      477.61    -124.657     514.068   -124.657     
1 1 1 16  14 6  o 18 1.40651      0.386642    329.988   -176.906     9.99791   -176.906     145.184   3.09438      
1 1 1 16  14 7  o 2  1.33194      0.34023     320.823   -3.68215     148.981   176.318      218.133   176.318      
1 1 1 16  14 8  o 5  1.31771      0.355803    143.819   133.019      68.5367   133.019      28.332    -46.9815     
1 1 1 16  14 9  o 14 1.20007      0.471232    327.136   127.438      60.342    127.438      106.963   -52.562      
1 1 1 16  14 10 o 10 1.26134      0.383205    442.367   48.63        75.6447   48.63        140.891   -131.37      
1 1 1 16  14 11 f 0  0.283713     0.365295    381.055   5.27127      156.495   -174.729     228.519   -174.729     
1 1 1 16  14 12 o 4  0.305524     0.324128    86.2883   -146.12      25.9051   33.8801      46.3626   33.8801      
1 1 1 16  14 13 o 4  0.853045     0.377379    439.645   -169.881     41.2469   -169.881     144.179   10.1192      
1 1 1 16  16 0  o 17 2.30395      0.41624     526.17    139.475      243.548   139.475      91.6214   -40.5249     
1 1 1 16  16 1  o 7  0.962981     0.369431    338.716   37.6008      16.4667   37.6007      128.572   -142.399     
1 1 1 16  16 2  o 13 1.21012      0.414121    249.303   27.6505      81.2453   27.6505      59.4169   -152.35      
1 1 1 16  16 3  o 13 0.498496     0.386617    407.435   134.386      222.508   -45.614      273.478   -45.614      
1 1 1 16  16 4  f 0  0.92344      0.342487    537.006   -58.9775     72.431    121.023      248.363   121.023      
1 1 1 16  16 5  o 12 0.0279815    0.304645    59.6177   51.9339      35.3289   -128.066     41.0436   -128.066     
1 1 1 16  16 6  o 15 0.862484     0.346033    182.754   -104.123     90.4363   -104.123     25.7864   75.8773      
1 1 1 16  16 7  o 4  0.584549     0.522036    256.935   -124.605     8.2811    -124.605     93.9994   55.3948      
1 1 1 16  16 8  o 8  0.602264     0.335595    209.056   -152.077     41.562    -152.077     57.5564   27.9233      
1 1 1 17  1  0  o 13 3.31023      0.487258    223.575   92.4671      158.623   -87.5329     184.288   -87.5329     
1 1 1 17  1  1  o 15 37.9531      1.72983     1780.65   -16.7993     177.209   163.201      917.785   163.201      
1 1 1 17  1  2  o 14 247.367      6.03125     3773.73   102.268      4710.79   102.268      623.129   102.268      
1 1 1 17  1  3  o 2  140.448      3.80725     3252.53   -178.204     3337.73   -178.204     204.152   -178.204     
1 1 1 17  1  4  o 6  73.4554      2.38977     1202.45   115.014      2759.05   115.014      849.052   115.014      
1 1 1 17  1  5  o 15 63.275       2.29003     1662.65   127.954      2167.03   127.954      362.828   127.954      
1 1 1 17  1  6  o 12 18.8855      0.725541    2002.7    -117.926     257.504   -117.926     729.063   62.074       
1 1 1 17  1  7  o 16 10.8072      0.661494    284.374   75.4377      153.008   75.4377      44.3811   -104.562     
1 1 1 17  1  8  o 3  36.8853      1.50758     1274.34   -91.7554     1791.51   -91.7554     358.676   -91.7554     
1 1 1 17  1  9  o 8  50.0224      2.34358     1941.91   49.3475      2067      49.3475      227.017   49.3475      
1 1 1 17  1  10 o 9  11.8147      0.673561    1180.7    6.42375      559.894   6.42375      200.781   -173.576     
1 1 1 17  1  11 o 18 4.88489      0.478848    636.756   133.874      102.405   133.874      204.227   -46.1257     
1 1 1 17  1  12 o 13 33.0079      1.28399     1194.98   110.161      1758.46   110.161      397.811   110.161      
1 1 1 17  1  13 o 7  8.46457      0.578322    822.315   132.569      653.502   -47.4309     668.154   -47.4309     
1 1 1 17  1  14 o 1  26.4716      1.13002     1245.32   -128.727     1501.14   -128.727     209.785   -128.727     
1 1 1 17  1  15 o 16 7.62139      0.418549    691.044   95.0496      280.26    -84.9504     451.027   -84.9504     
1 1 1 17  1  16 o 2  5.63098      0.628007    795.078   40.5287      103.881   40.5287      309.059   -139.471     
1 1 1 17  1  17 o 18 4.43036      0.506366    909.506   9.74583      16.1814   -170.254     418.586   -170.254     
1 1 1 17  1  18 o 19 6.93346      0.580094    977.143   129.897      199.202   129.897      343.755   -50.1026     
1 1 1 17  1  19 o 7  29.6214      1.34521     945.68    -139.544     2035.13   -139.544     583.637   -139.544     
1 1 1 17  1  20 o 10 11.5402      0.775769    367.842   -13.6775     1180.76   -13.6775     427.16    -13.6775     
1 1 1 17  1  21 o 7  0.673643     0.385032    103.536   150.277      20.0781   -29.7225     52.3656   -29.7225     
1 1 1 17  1  22 f 0  7.0885       0.673773    480.154   -130.514     903.924   -130.514     264.465   -130.514     
1 1 1 17  1  23 o 1  4.24555      0.50724     81.2539   12.7322      526.543   12.7322      232.472   12.7322      
1 1 1 17  3  0  o 16 123.546      3.62779     2124.44   27.6478      3449.51   27.6478      769.991   27.6478      
1 1 1 17  3  1  o 15 181.075      5.85399     4327.42   85.5662      3397.88   85.5662      232.203   -94.4338     
1 1 1 17  3  2  o 2  183.008      4.54674     3442.89   146.289      4101.27   146.289      530.61    146.289      
1 1 1 17  3  3  o 8  73.8893      1.94368     2496.4    -108.915     1945.22   -108.915     116.128   71.0849      
1 1 1 17  3  4  o 3  119.816      3.34185     1755.36   142.639      3615.8    142.639      1050.86   142.639      
1 1 1 17  3  5  f 0  73.514       3.02396     2078.49   70.9638      2166.33   70.9638      194.247   70.9638      
1 1 1 17  3  6  o 1  37.7739      1.70056     2145.53   82.2853      1017.03   82.2853      403.35    -97.7147     
1 1 1 17  3  7  o 11 45.1049      1.91425     1728.92   174.113      1675.93   174.113      108.614   174.113      
1 1 1 17  3  8  o 15 34.2549      1.42564     1284.92   -67.9706     1692.99   -67.9706     311.168   -67.9706     
1 1 1 17  3  9  o 16 66.3072      1.95371     1903.48   -12.6014     2837.54   -12.6014     639.746   -12.6014     
1 1 1 17  3  10 o 13 27.5758      1.0769      1464.94   -114.475     1378.96   -114.475     99.864    -114.475     
1 1 1 17  3  11 o 13 20.8562      1.00484     558.349   176.677      1191.78   176.677      371.978   176.677      
1 1 1 17  3  12 o 16 31.3869      1.20897     1892.86   -96.027      1364.86   -96.027      91.3061   83.973       
1 1 1 17  3  13 o 8  9.20836      0.832214    608.628   179.012      416.426   179.012      50.5622   -0.987874    
1 1 1 17  3  14 o 6  9.61248      0.560425    506.686   -71.3306     484.577   -71.3306     17.6826   -71.3306     
1 1 1 17  3  15 o 18 18.466       0.850086    283.085   7.25555      888.868   7.25555      316.096   7.25555      
1 1 1 17  3  16 f 0  2.46165      0.437114    279.676   -118.015     ?         ?            ?         ?            
1 1 1 17  3  17 o 7  8.67829      0.959077    627.984   -90.1104     724.945   -90.1104     79.0738   -90.1104     
1 1 1 17  3  18 o 17 6.94317      0.528835    969.156   -114.824     329.338   -114.824     277.745   65.1761      
1 1 1 17  3  19 o 7  4.2681       0.468345    406.076   148.434      206.887   148.434      82.0016   -31.5662     
1 1 1 17  3  20 o 4  3.37411      0.459355    719.946   103.216      35.8024   -76.7845     328.529   -76.7845     
1 1 1 17  3  21 o 5  2.11485      0.441098    30.8966   120.418      16.7497   120.418      3.97797   -59.5818     
1 1 1 17  3  22 o 16 0.641826     0.393247    295.276   36.1643      94.0246   -143.836     160.671   -143.836     
1 1 1 17  5  0  o 18 4.81748      0.535986    688.016   89.0709      250.222   -90.9291     420.036   -90.9291     
1 1 1 17  5  1  o 2  66.4687      2.51298     1717.81   27.3823      2631.67   27.3823      580.836   27.3823      
1 1 1 17  5  2  o 7  2.66472      0.325118    788.787   1.80015      ?         ?            ?         ?            
1 1 1 17  5  3  o 18 28.7721      1.60395     955.001   -40.9342     1435.68   -40.9342     311.612   -40.9342     
1 1 1 17  5  4  o 9  62.0757      2.11233     2199.28   -23.2909     2274.28   -23.2909     205.403   -23.2909     
1 1 1 17  5  5  o 12 9.09511      0.797662    1075.78   106.425      90.9197   -73.5753     498.457   -73.5753     
1 1 1 17  5  6  o 12 10.1914      0.545574    747.28    -163.017     523.448   -163.017     49.9023   16.9833      
1 1 1 17  5  7  o 7  18.0667      0.656808    1283.51   124.629      952.523   124.629      51.617    -55.3707     
1 1 1 17  5  8  o 12 30.7299      1.22015     2010.02   21.1138      1213.71   21.1138      207.206   -158.886     
1 1 1 17  5  9  o 3  49.4229      1.75992     2397.17   69.9662      1563.58   69.9662      179.233   -110.034     
1 1 1 17  5  10 o 8  20.6988      0.735621    937.194   86.7705      1293.54   86.7705      269.632   86.7705      
1 1 1 17  5  11 o 13 4.16127      0.504408    934.622   -99.751      200.649   80.249       485.195   80.249       
1 1 1 17  5  12 o 13 76.4306      2.90024     2162.66   -116.527     2820.2    -116.527     485.056   -116.527     
1 1 1 17  5  13 f 0  17.1994      0.922807    1650.88   55.9913      558.125   55.9913      454.224   -124.009     
1 1 1 17  5  14 o 19 13.0614      0.776434    1025.81   -19.5229     486.303   -19.5229     221.875   160.477      
1 1 1 17  5  15 o 2  23.894       1.22523     1279.12   -94.4691     1035.95   -94.4691     61.6416   85.5309      
1 1 1 17  5  16 o 3  4.99787      0.521376    372.663   21.6464      341.201   21.6464      2.47379   21.6464      
1 1 1 17  5  17 o 14 27.0534      1.49288     1442.77   3.91308      1057.86   3.91308      128.042   -176.087     
1 1 1 17  5  18 o 16 1.56665      0.377047    392.793   172.503      13.9876   -7.49668     187.023   -7.49668     
1 1 1 17  5  19 o 15 2.00355      0.518883    255.152   -126.445     168.401   -126.445     28.0447   53.5551      
1 1 1 17  5  20 o 11 3.57285      0.532898    416.32    13.9335      474.093   13.9335      67.7188   13.9335      
1 1 1 17  5  21 o 10 2.78057      0.559428    526.804   -29.799      199.939   -29.799      105.587   150.201      
1 1 1 17  5  22 o 13 1.42116      0.581656    229.136   45.3888      208.04    45.3888      17.4118   45.3888      
1 1 1 17  7  0  o 17 2.46237      0.260905    114.114   -40.1878     30.4968   139.812      62.8819   139.812      
1 1 1 17  7  1  o 12 2.38348      0.393403    545.036   -134.998     ?         ?            ?         ?            
1 1 1 17  7  2  o 6  0.739322     0.20471     464.779   -9.54995     ?         ?            ?         ?            
1 1 1 17  7  3  o 13 16.3682      0.838087    738.075   3.0719       1222.28   3.0719       307.155   3.0719       
1 1 1 17  7  4  o 14 3.60318      0.339512    731.753   -46.7424     186.643   133.258      392.149   133.258      
1 1 1 17  7  5  o 18 20.0629      1.0139      1233.84   128.477      1208.27   128.477      104.963   128.477      
1 1 1 17  7  6  o 2  57.1753      1.57591     2369.1    -113.8       2171.12   -113.8       134.401   -113.8       
1 1 1 17  7  7  o 15 1.32287      0.240605    862.998   -125.951     ?         ?            ?         ?            
1 1 1 17  7  8  o 7  21.5528      0.902272    1230.58   135.916      1265.67   135.916      135.402   135.916      
1 1 1 17  7  9  o 17 3.50087      0.525954    176.981   97.9257      9.39641   -82.0743     77.8012   -82.0743     
1 1 1 17  7  10 o 3  12.7007      0.742123    1295.97   162.583      361.927   162.583      371.8     -17.4171     
1 1 1 17  7  11 o 8  4.45231      0.404344    608.457   97.3569      ?         ?            ?         ?            
1 1 1 17  7  12 o 11 11.751       0.697153    407.097   113.255      694.833   113.255      163.639   113.255      
1 1 1 17  7  13 o 5  33.9965      1.54377     1493.83   46.2596      1498.22   46.2596      70.8119   46.2596      
1 1 1 17  7  14 o 15 21.1469      1.19061     906.709   19.5793      1485.33   19.5793      333.043   19.5793      
1 1 1 17  7  15 o 13 8.6505       0.797102    544.176   170.245      757.74    170.245      132.929   170.245      
1 1 1 17  7  16 o 12 2.90167      0.474834    480.755   -93.7524     169.168   -93.7524     135.269   86.2476      
1 1 1 17  7  17 o 15 8.041        0.584474    749.006   19.2734      752.848   19.2734      34.5447   19.2734      
1 1 1 17  7  18 o 7  7.06351      0.656465    409.866   4.16046      918.515   4.16046      281.309   4.16046      
1 1 1 17  7  19 o 1  3.4329       0.490234    618.539   3.67979      325.618   3.67979      86.8215   -176.32      
1 1 1 17  7  20 o 17 8.02098      0.621373    674.072   -175.319     902.681   -175.319     188.94    -175.319     
1 1 1 17  7  21 o 8  1.21108      0.420937    181.421   -85.9146     198.759   -85.9146     30.5825   -85.9146     
1 1 1 17  9  0  o 19 7.14518      0.524457    623.492   90.6662      362.325   90.6662      68.6806   -89.3338     
1 1 1 17  9  1  o 16 14.1845      0.737572    963.743   -171.32      794.948   -171.32      11.0667   -171.32      
1 1 1 17  9  2  o 16 2.29069      0.48779     666.248   58.4996      291.262   -121.5       413.222   -121.5       
1 1 1 17  9  3  o 18 11.2094      0.726067    1218.04   2.41187      521.508   2.41187      230.448   -177.588     
1 1 1 17  9  4  o 3  2.49178      0.279759    708.574   34.6674      391.065   -145.333     483.542   -145.333     
1 1 1 17  9  5  o 1  0.787914     0.279623    265.177   16.3557      180.079   -163.644     199.247   -163.644     
1 1 1 17  9  6  o 8  20.3624      1.29586     525.104   -72.4868     1307.43   -72.4868     433.329   -72.4868     
1 1 1 17  9  7  o 4  15.2987      0.852784    1595.02   -78.6673     509.753   -78.6673     430.503   101.333      
1 1 1 17  9  8  f 0  5.15642      0.600775    995.79    -63.1604     5.46739   -63.1604     435.78    116.84       
1 1 1 17  9  9  o 13 4.07049      0.444765    393.381   34.8251      11.1427   34.8251      171.137   -145.175     
1 1 1 17  9  10 o 7  12.9311      0.807365    902.338   65.4313      856.982   65.4313      19.0636   65.4313      
1 1 1 17  9  11 o 13 5.30204      0.474704    851.804   73.9095      176.482   -106.09      474.539   -106.09      
1 1 1 17  9  12 o 3  0.500674     0.328464    307.511   -121.368     ?         ?            ?         ?            
1 1 1 17  9  13 f 0  15.1223      1.35327     1102.6    86.3956      921.837   86.3956      37.5878   -93.6044     
1 1 1 17  9  14 o 17 9.33426      0.71454     952.411   119.157      662.274   119.157      104.021   -60.8428     
1 1 1 17  9  15 o 10 -0.100892    0.367058    415.603   14.1287      ?         ?            ?         ?            
1 1 1 17  9  16 o 11 4.65369      0.544193    469.847   27.1506      529.722   27.1506      56.9448   27.1506      
1 1 1 17  9  17 o 11 0.866034     0.373946    319.027   65.0432      235.374   -114.957     249.617   -114.957     
1 1 1 17  9  18 o 12 1.43319      0.401553    230.263   -121.542     41.7512   -121.542     69.9086   58.4581      
1 1 1 17  9  19 o 2  2.9355       0.59338     305.412   -140.999     519.342   -140.999     143.57    -140.999     
1 1 1 17  11 0  o 5  10.8098      0.817206    1174.82   80.2242      394.198   80.2243      318.735   -99.7757     
1 1 1 17  11 1  o 9  4.32592      0.695646    322.401   -40.5438     123.817   139.456      203.998   139.456      
1 1 1 17  11 2  o 16 16.2916      0.824382    1309.3    51.6092      645.728   51.6092      257.614   -128.391     
1 1 1 17  11 3  o 12 2.09787      0.36427     518.463   -99.8708     390.275   80.1292      426.693   80.1292      
1 1 1 17  11 4  o 5  4.32933      0.465705    1005.15   123.703      153.448   -56.297      529.023   -56.297      
1 1 1 17  11 5  o 17 11.0987      0.631578    906.234   -163.04      645.614   -163.04      87.4504   16.9599      
1 1 1 17  11 6  o 10 18.7991      1.07297     1196      -0.717882    1062.89   -0.717882    11.6124   179.282      
1 1 1 17  11 7  o 17 2.34081      0.436191    308.978   -50.3815     76.6895   129.619      178.535   129.619      
1 1 1 17  11 8  o 5  0.4895       0.26377     339.798   -175.804     ?         ?            ?         ?            
1 1 1 17  11 9  o 10 4.18076      0.486452    489.786   57.37        252.85    57.37        94.5343   -122.63      
1 1 1 17  11 10 o 3  4.29943      0.560507    690.388   53.8277      266.725   53.8277      178.938   -126.172     
1 1 1 17  11 11 o 2  2.30888      0.409349    421.31    -17.1989     49.2559   162.801      216.827   162.801      
1 1 1 17  11 12 o 14 5.72247      0.598261    560.957   121.189      603.588   121.189      44.3917   121.189      
1 1 1 17  11 13 o 3  4.37724      0.646671    607.51    96.5964      450.869   96.5964      49.4299   -83.4036     
1 1 1 17  11 14 o 17 3.24614      0.497383    174.109   120.649      305.095   120.649      77.3024   120.649      
1 1 1 17  11 15 o 12 4.04305      0.513351    406.492   -170.654     528.618   -170.654     98.8184   -170.654     
1 1 1 17  11 16 < 3  -0.780472    0.195653    233.683   -53.3934     ?         ?            ?         ?            
1 1 1 17  11 17 o 15 1.55624      0.502302    235.729   64.2271      283.369   64.2271      52.1793   64.2271      
1 1 1 17  13 0  o 2  2.04398      0.365734    502.098   125.923      109.529   -54.0774     281.357   -54.0774     
1 1 1 17  13 1  o 7  2.4073       0.416865    102.646   41.2425      6.38911   41.2425      43.1182   -138.758     
1 1 1 17  13 2  o 17 7.90857      0.671032    1230.33   100.744      243.735   100.744      433.165   -79.256      
1 1 1 17  13 3  o 16 2.95078      0.430791    519.668   -54.3454     76.7572   -54.3454     196.145   125.655      
1 1 1 17  13 4  o 5  1.71174      0.582137    385.214   -14.3457     91.099    165.654      219.658   165.654      
1 1 1 17  13 5  o 7  8.38451      0.619486    878.69    -149.935     621.594   -149.935     87.6543   30.0653      
1 1 1 17  13 6  o 5  9.32207      0.667074    235.141   42.8701      821.479   42.8701      303.573   42.8701      
1 1 1 17  13 7  o 7  3.09902      0.544595    738.254   -165.371     69.9608   -165.371     303.248   14.629       
1 1 1 17  13 8  o 10 0.515668     0.332932    414.575   79.5224      249.621   -100.478     314.954   -100.478     
1 1 1 17  13 9  o 12 3.03359      0.472142    536.403   -1.86938     146.237   -1.86938     170.433   178.131      
1 1 1 17  13 10 o 16 3.60734      0.598971    281.659   -34.6275     468.973   -34.6275     110.114   -34.6275     
1 1 1 17  13 11 o 5  1.87679      0.406546    310.736   64.2772      222.97    64.2772      19.7733   -115.723     
1 1 1 17  13 12 o 9  2.55166      0.420913    514.103   -29.6487     345.084   -29.6487     35.0522   150.351      
1 1 1 17  13 13 o 4  0.49291      0.325684    93.3993   103.747      40.6974   -76.2529     57.0691   -76.2529     
1 1 1 17  13 14 o 19 0.520413     0.334816    205.674   -78.9214     10.035    101.079      83.8532   101.079      
1 1 1 17  15 0  o 5  0.697215     0.416733    145.191   98.9597      49.4495   -81.0403     89.949    -81.0403     
1 1 1 17  15 1  o 11 4.72246      0.621243    481.717   27.2259      553.133   27.2259      61.0046   27.2259      
1 1 1 17  15 2  o 15 0.700061     0.349815    829.958   90.0761      422.46    -89.9239     579.918   -89.9239     
1 1 1 17  15 3  o 1  2.23737      0.434879    426.633   -13.3185     217.146   -13.3185     78.7487   166.681      
1 1 1 17  15 4  o 13 0.828206     0.381014    152.565   42.271       27.6367   -137.729     79.6863   -137.729     
1 1 1 17  15 5  o 11 1.17534      0.354303    483.603   151.239      4.46063   151.239      202.023   -28.7607     
1 1 1 17  15 6  o 10 1.01868      0.464364    174.534   23.6388      42.5354   -156.361     93.1527   -156.361     
1 1 1 17  15 7  o 11 1.05222      0.460896    55.1934   -166.647     24.7015   -166.647     9.84571   13.3527      
1 1 1 17  15 8  o 5  0.947529     0.478488    22.2209   -133.6       9.26924   -133.6       4.14587   46.3999      
1 1 1 17  15 9  o 2  1.35157      0.424357    104.655   -79.0916     105.221   -79.0916     11.7876   -79.0916     
1 1 1 17  15 10 o 16 0.22952      0.274868    226.403   -125.823     ?         ?            ?         ?            
1 1 1 17  15 11 o 19 0.477557     0.424979    323.063   30.6871      88.5463   -149.313     166.155   -149.313     
1 1 1 17  17 0  o 14 -0.0799737   0.416099    446.495   -86.6909     181.65    93.3091      260.107   93.3091      
1 1 1 17  17 1  o 13 0.355963     0.423762    108.525   10.7344      4.19481   10.7344      38.8866   -169.266     
1 1 1 17  17 2  o 2  0.554156     0.35668     405.416   101.499      24.9605   -78.5013     164.738   -78.5013     
1 1 1 17  17 3  o 5  1.10191      0.357447    396.647   -140.251     140.439   -140.251     78.494    39.7486      
1 1 1 18  0  0  o 14 31.012       2.79235     1487.1    -2.14731e-14 927.758   3.21832e-14  231.368   180          
1 1 1 18  0  1  o 14 7.04894      0.779755    841.519   180          354.598   8.41823e-15  567.312   2.63091e-15  
1 1 1 18  0  2  o 18 139.929      5.31423     2093.78   0            4378.17   0            1232.72   0            
1 1 1 18  0  3  o 11 0.507169     0.18182     1375.79   0            1205.61   180          1219.49   180          
1 1 1 18  0  4  o 11 400.974      15.2055     4816.73   0            6769.36   0            1267.65   0            
1 1 1 18  0  5  o 9  450.575      13.9917     5670.88   0            6902.4    0            999.095   0            
1 1 1 18  0  6  o 6  95.4464      4.18503     2997.13   180          2807.18   180          121.547   180          
1 1 1 18  0  7  o 14 200.07       7.70359     3134.03   0            4970.81   0            1154.48   0            
1 1 1 18  0  8  o 14 4.70857      1.08448     155.713   0            12.6102   0            59.2219   180          
1 1 1 18  0  9  o 15 5.00564      0.758179    625.923   0            ?         ?            ?         ?            
1 1 1 18  0  10 o 1  13.0287      1.44033     330.832   0            782.177   0            256.693   0            
1 1 1 18  0  11 o 12 9.94628      1.43578     350.028   0            555.381   0            137.379   0            
1 1 1 18  0  12 o 9  59.5768      2.86271     1847.8    0            2542.08   0            525.117   0            
1 1 1 18  0  13 o 9  23.8164      1.15502     1748.69   0            1095.17   0            181.57    180          
1 1 1 18  0  14 o 10 27.9509      1.67164     625.422   180          2068.01   180          761.212   180          
1 1 1 18  0  15 o 6  38.9345      1.92105     1106.49   180          2469.76   180          736.025   180          
1 1 1 18  0  16 < 0  -1.44749     0.147434    462.57    180          ?         ?            ?         ?            
1 1 1 18  0  17 o 15 14.9573      1.10703     1201.15   0            1059.81   0            12.0587   180          
1 1 1 18  0  18 f 0  57.3485      3.11973     1831.73   0            2516.41   0            426.008   0            
1 1 1 18  0  19 o 7  2.62944      0.595178    132.551   0            50.084    180          85.8414   180          
1 1 1 18  0  20 o 18 15.0415      1.04168     187.288   180          1709.65   180          772.231   180          
1 1 1 18  0  21 o 10 1.18695      0.830115    448.06    0            45.0892   180          204.577   180          
1 1 1 18  0  22 o 8  2.80938      0.608132    178.479   0            385.301   0            123.158   0            
1 1 1 18  2  0  o 2  300.616      7.78766     3748.35   -74.49       5419.69   -74.49       996.517   -74.49       
1 1 1 18  2  1  o 6  34.704       1.15139     2187.03   -81.1647     89.1987   98.8353      1035.96   98.8353      
1 1 1 18  2  2  o 13 12.4308      0.72347     553.631   100.14       90.5485   -79.8602     293       -79.8602     
1 1 1 18  2  3  o 14 116.76       3.50791     2853.44   95.0652      3137.14   95.0652      311.315   95.0652      
1 1 1 18  2  4  o 6  8.19456      0.707944    183.743   -97.8798     ?         ?            ?         ?            
1 1 1 18  2  5  o 13 47.915       1.58253     969.103   -108.453     667.334   -108.453     82.3637   71.5472      
1 1 1 18  2  6  o 6  30.8083      1.31631     1433      113.862      504.027   113.862      358.53    -66.1381     
1 1 1 18  2  7  o 1  39.7639      2.59586     1992.42   -5.12923     888.502   -5.12923     398.787   174.871      
1 1 1 18  2  8  o 3  18.78        0.984409    617.562   -117.164     1252.99   -117.164     368.06    -117.164     
1 1 1 18  2  9  o 8  4.22813      0.345505    922.153   59.0766      ?         ?            ?         ?            
1 1 1 18  2  10 o 16 4.37874      0.403891    770.286   -23.5658     506.57    156.434      564.317   156.434      
1 1 1 18  2  11 o 19 51.4068      1.8036      1877.73   -8.21493     2292.87   -8.21493     394.12    -8.21493     
1 1 1 18  2  12 f 0  0.603036     0.233954    974.336   77.9779      724.031   -102.022     758.112   -102.022     
1 1 1 18  2  13 f 0  7.58869      0.770295    784.684   -172.444     269.988   -172.444     196.117   7.5563       
1 1 1 18  2  14 o 6  32.1267      1.1812      1345.17   17.7904      1332.63   17.7904      73.4182   17.7904      
1 1 1 18  2  15 o 2  11.9138      0.99083     387.69    70.4171      670.044   70.4171      159.537   70.4171      
1 1 1 18  2  16 o 17 2.1038       0.465626    385.582   -73.4101     102.599   106.59       226.096   106.59       
1 1 1 18  2  17 o 5  44.6382      1.5293      1612.01   -167.58      2052.53   -167.58      299.011   -167.58      
1 1 1 18  2  18 o 11 2.24706      0.473727    539.326   165.272      41.8819   165.272      224.845   -14.728      
1 1 1 18  2  19 f 0  7.58863      0.99131     101.48    49.9251      440.23    49.9251      173.672   49.9251      
1 1 1 18  2  20 o 15 1.77723      0.530257    194.958   -61.0867     112.646   -61.0867     28.4548   118.913      
1 1 1 18  2  21 o 13 4.95197      0.527951    363.003   84.9469      562.704   84.9469      135.515   84.9469      
1 1 1 18  2  22 o 19 1.02666      0.453697    282.398   -64.3469     58.7305   115.653      138.539   115.653      
1 1 1 18  4  0  o 19 136.752      3.78601     2777.58   22.3501      3435.38   22.3501      510.354   22.3501      
1 1 1 18  4  1  o 3  7.54524      0.626673    1425.35   22.4388      386.081   -157.561     810.231   -157.561     
1 1 1 18  4  2  o 3  135.736      3.60338     3449.73   -123.8       3161.17   -123.8       94.7148   -123.8       
1 1 1 18  4  3  o 12 25.5581      1.45724     373.064   132.002      394.273   132.002      37.3307   132.002      
1 1 1 18  4  4  o 1  22.9937      1.20657     1399.61   -60.9499     999.263   -60.9499     96.9507   119.05       
1 1 1 18  4  5  o 13 67.3382      2.5175      2178.63   -118.048     2326.64   -118.048     239.269   -118.048     
1 1 1 18  4  6  o 14 10.8887      0.504486    1106.69   -51.0825     513.498   -51.0825     209.362   128.918      
1 1 1 18  4  7  o 14 12.6396      0.674404    1321.12   7.03023      609.476   7.03023      245.332   -172.97      
1 1 1 18  4  8  o 14 34.9857      1.23743     1621.42   170.619      1601.66   170.619      136.485   170.619      
1 1 1 18  4  9  o 16 11.1518      0.531023    938.823   -83.4426     684.939   -83.4426     36.1009   96.5574      
1 1 1 18  4  10 o 9  34.3663      1.33089     1040.39   71.4369      2092.3    71.4369      629.318   71.4369      
1 1 1 18  4  11 o 12 31.9152      1.2322      1510.52   -80.2389     1543.51   -80.2389     158.933   -80.2389     
1 1 1 18  4  12 o 13 7.79532      0.828189    573.546   161.734      35.5836   -18.2661     258.291   -18.2661     
1 1 1 18  4  13 o 7  3.27798      0.439651    806.66    -157.697     183.169   22.3028      444.259   22.3028      
1 1 1 18  4  14 o 17 17.2202      1.05317     561.13    150.699      933.652   150.699      213.899   150.699      
1 1 1 18  4  15 o 5  27.3378      0.967116    779.057   89.991       1603.46   89.991       448.03    89.991       
1 1 1 18  4  16 o 3  44.2268      1.6475      1908.31   117.678      1826.48   117.678      51.8479   117.678      
1 1 1 18  4  17 o 5  23.3139      1.03141     854.317   158.512      1691.04   158.512      458.299   158.512      
1 1 1 18  4  18 o 5  8.36782      0.773605    690.025   -31.4203     705.393   -31.4203     36.109    -31.4203     
1 1 1 18  4  19 o 2  1.68164      0.476021    327.886   -159.552     5.12377   20.4483      149.523   20.4483      
1 1 1 18  4  20 o 13 10.3042      0.745098    341.162   -15.2909     1232.12   -15.2909     474.373   -15.2909     
1 1 1 18  4  21 o 14 1.67037      0.43209     381.543   -0.0272779   82.6286   -0.0272779   108.714   179.973      
1 1 1 18  4  22 o 13 0.986327     0.484082    377.511   -112.747     71.1688   -112.747     106.138   67.2528      
1 1 1 18  6  0  o 8  51.5938      2.06864     1553.57   72.9561      2191.89   72.9561      438.117   72.9561      
1 1 1 18  6  1  f 0  21.4396      0.885401    2090.22   153.848      400.942   153.848      683.244   -26.1515     
1 1 1 18  6  2  o 17 33.2074      1.68066     1493.31   67.3355      1465.6    67.3355      103.246   67.3355      
1 1 1 18  6  3  o 13 6.44979      0.43078     785.474   20.1219      235.686   20.1219      211.75    -159.878     
1 1 1 18  6  4  o 3  15.1807      0.990689    1127.17   70.4235      880.497   70.4235      29.3129   -109.576     
1 1 1 18  6  5  o 8  0.922524     0.204276    515.953   -154.081     ?         ?            ?         ?            
1 1 1 18  6  6  o 10 15.7903      0.855598    1070.8    84.5494      1021.71   84.5494      74.7262   84.5494      
1 1 1 18  6  7  o 9  17.6689      0.73168     1063.96   -74.8078     991.359   -74.8078     67.2743   -74.8078     
1 1 1 18  6  8  o 1  13.7681      0.735431    1079.98   104.524      917.532   104.524      26.1064   104.524      
1 1 1 18  6  9  o 2  10.7596      0.596377    288.341   140.263      99.0113   140.263      66.8933   -39.7367     
1 1 1 18  6  10 o 9  3.68723      0.653843    934.75    99.6004      133.211   -80.3996     452.959   -80.3996     
1 1 1 18  6  11 o 16 10.1773      0.67697     366.307   -80.1809     456.232   -80.1809     71.2377   -80.1809     
1 1 1 18  6  12 o 8  8.31545      0.657139    1340.93   13.5125      66.5659   -166.488     628.15    -166.488     
1 1 1 18  6  13 o 10 7.1686       0.498454    312.124   -6.12963     222.55    -6.12963     30.0778   173.87       
1 1 1 18  6  14 o 12 11.6657      0.811602    516.251   -131.685     421.054   -131.685     23.6218   48.3148      
1 1 1 18  6  15 o 5  13.9063      0.792775    899.986   1.6939       1052.07   1.6939       119.978   1.6939       
1 1 1 18  6  16 o 11 4.15756      0.656933    393.402   88.6852      205.01    88.6852      76.018    -91.3148     
1 1 1 18  6  17 o 3  7.7913       0.599677    720.802   130.441      618.881   130.441      21.2981   -49.5593     
1 1 1 18  6  18 o 2  0.730185     0.343802    522.636   54.1082      333.854   -125.892     401.4     -125.892     
1 1 1 18  6  19 o 5  4.28053      0.545066    455.116   -59.5388     557.373   -59.5388     88.673    -59.5388     
1 1 1 18  6  20 o 7  1.26654      0.3812      503.894   0.333507     23.6166   -179.666     210.593   -179.666     
1 1 1 18  6  21 o 13 1.0505       0.438669    384.336   76.7868      63.73     76.7868      113.556   -103.213     
1 1 1 18  8  0  o 2  2.05761      0.354929    934.128   -110.115     333.645   69.8849      545.369   69.8849      
1 1 1 18  8  1  o 5  18.0289      0.821627    1655.67   -124.504     720.272   -124.504     309.268   55.4961      
1 1 1 18  8  2  o 17 14.4044      1.45884     1477.07   93.9554      713.325   93.9554      238.51    -86.0446     
1 1 1 18  8  3  o 2  6.78499      0.58854     469.964   -122.924     147.292   57.076       262.338   57.076       
1 1 1 18  8  4  f 0  25.6978      1.33472     1476.43   67.6856      1388.07   67.6856      102.515   67.6856      
1 1 1 18  8  5  o 6  16.9381      0.912842    1336.89   -165.899     927.906   -165.899     72.5396   14.1013      
1 1 1 18  8  6  o 6  23.1004      0.937044    1475.88   -106.78      1113.01   -106.78      40.6272   73.2199      
1 1 1 18  8  7  o 18 6.23114      0.586732    1063.03   -105.109     133.638   -105.109     370.569   74.8915      
1 1 1 18  8  8  o 9  15.5921      1.07663     800.55    -128.814     1043.21   -128.814     183.793   -128.814     
1 1 1 18  8  9  o 17 17.1059      0.785095    338.359   4.79949      632.787   4.79949      169.314   4.79949      
1 1 1 18  8  10 o 2  5.45986      0.519042    796.559   -99.8231     307.756   80.1769      509.407   80.1769      
1 1 1 18  8  11 o 9  2.05104      0.385269    450.155   -104.197     ?         ?            ?         ?            
1 1 1 18  8  12 o 5  21.6165      0.994203    1161      102.97       1205.25   102.97       75.8459   102.97       
1 1 1 18  8  13 o 6  19.0979      1.06111     919.406   -124.338     1389.81   -124.338     279.838   -124.338     
1 1 1 18  8  14 o 10 16.822       1.74302     1296.92   65.0089      946.223   65.0089      113.437   -114.991     
1 1 1 18  8  15 o 18 5.75692      0.561368    911.029   95.1217      262.289   95.1217      285.601   -84.8783     
1 1 1 18  8  16 o 12 0.793094     0.380357    325.059   -42.4627     179.348   137.537      238.138   137.537      
1 1 1 18  8  17 o 18 5.36952      0.657508    424.657   -161.102     663.354   -161.102     146.278   -161.102     
1 1 1 18  8  18 o 10 3.98801      0.490416    295.298   143.259      601.843   143.259      180.867   143.259      
1 1 1 18  8  19 o 18 0.331921     0.346599    367.758   65.0202      124.208   -114.98      205.966   -114.98      
1 1 1 18  8  20 o 7  2.84147      0.483179    362.483   52.0717      523.15    52.0717      125.755   52.0717      
1 1 1 18  10 0  o 6  7.85097      0.627799    1164.14   -154.626     184.562   -154.626     390.911   25.3737      
1 1 1 18  10 1  o 4  0.960068     0.366049    55.4157   -8.31267     ?         ?            ?         ?            
1 1 1 18  10 2  o 19 0.729715     0.294306    599.841   -149.955     ?         ?            ?         ?            
1 1 1 18  10 3  o 4  10.5731      0.629191    1519.17   111.783      228.405   111.783      531.065   -68.2174     
1 1 1 18  10 4  o 3  1.61046      0.26293     839.676   -168.07      ?         ?            ?         ?            
1 1 1 18  10 5  o 1  15.0069      0.914904    1347.82   104.033      424.553   104.033      377.878   -75.9667     
1 1 1 18  10 6  o 12 4.67213      0.549953    445.375   -42.5882     155.474   137.412      275.915   137.412      
1 1 1 18  10 7  o 18 5.01876      0.479678    548.193   -96.1264     123.24    -96.1264     185.479   83.8736      
1 1 1 18  10 8  o 3  8.65859      0.552703    834.602   41.6574      503.234   41.6574      127.141   -138.343     
1 1 1 18  10 9  o 18 2.40215      0.353768    318.368   159.37       52.2874   -20.6296     170.597   -20.6296     
1 1 1 18  10 10 o 18 8.76737      0.547628    465.301   -78.1486     624.923   -78.1486     102.203   -78.1486     
1 1 1 18  10 11 o 19 2.15764      0.579706    491.448   167.424      121.801   -12.576      282.674   -12.576      
1 1 1 18  10 12 o 3  5.99252      0.872988    866.522   -20.355      114.379   -20.355      336.426   159.645      
1 1 1 18  10 13 o 1  4.42366      0.580113    367.116   142.617      308.312   142.617      14.1834   -37.3834     
1 1 1 18  10 14 o 18 0.765998     0.437165    439.99    174.541      166.2     -5.459       283.365   -5.459       
1 1 1 18  10 15 o 14 8.04727      0.716439    450.36    88.7755      978.392   88.7755      292.93    88.7755      
1 1 1 18  10 16 o 2  4.64367      0.512865    660.575   111.216      544.167   111.216      2.16087   111.216      
1 1 1 18  10 17 f 0  1.07877      0.382256    249.661   -174.126     43.0526   5.87428      119.641   5.87428      
1 1 1 18  10 18 o 8  1.41522      0.576753    500.295   52.2709      138.797   52.2709      120.014   -127.729     
1 1 1 18  12 0  o 16 1.60665      0.331367    521.923   -86.8975     254.221   93.1025      364.102   93.1025      
1 1 1 18  12 1  o 8  1.62513      0.325874    247.344   -142.499     111.835   37.5012      168.244   37.5012      
1 1 1 18  12 2  o 5  1.19391      0.30382     663.144   -105.235     ?         ?            ?         ?            
1 1 1 18  12 3  o 18 13.8976      0.98391     963.67    110.541      877.121   110.541      1.3467    110.541      
1 1 1 18  12 4  o 17 20.5864      0.900334    1308.57   155.113      998.112   155.113      93.6387   -24.8865     
1 1 1 18  12 5  o 16 5.93737      0.473864    547.896   -13.4095     423.534   -13.4095     35.8403   166.591      
1 1 1 18  12 6  o 4  4.32593      0.494155    1374.66   -132.003     825.505   47.9973      1032.97   47.9973      
1 1 1 18  12 7  o 8  2.10574      0.365182    142.945   33.171       26.7886   -146.829     77.9368   -146.829     
1 1 1 18  12 8  o 17 0.983165     0.370886    252.753   31.3907      147.849   -148.609     188.579   -148.609     
1 1 1 18  12 9  o 4  4.32689      0.583823    316.325   134.993      322.324   134.993      16.597    134.993      
1 1 1 18  12 10 o 17 3.98248      0.469405    693.309   133.533      188.95    133.533      223.646   -46.4674     
1 1 1 18  12 11 o 3  11.2721      0.745513    708.838   1.1181       1082.65   1.1181       219.617   1.1181       
1 1 1 18  12 12 o 5  1.38688      0.359011    159.2     155.063      20.1025   155.063      59.678    -24.9368     
1 1 1 18  12 13 o 3  1.5892       0.401446    423.156   -156.066     135.286   -156.066     108.038   23.9344      
1 1 1 18  12 14 o 1  1.60331      0.368242    644.777   75.8151      65.1425   75.8151      223.769   -104.185     
1 1 1 18  12 15 o 19 0.139579     0.391953    223.537   14.5171      78.6469   -165.483     126.155   -165.483     
1 1 1 18  12 16 o 15 2.68406      0.773722    351.1     143.3        416.142   143.3        76.505    143.3        
1 1 1 18  14 0  o 17 7.15319      0.536749    688.19    -120.908     585.91    -120.908     21.6614   59.0916      
1 1 1 18  14 1  o 9  1.2008       0.34549     284.157   -130.969     66.7751   49.0314      163.424   49.0314      
1 1 1 18  14 2  o 5  2.00666      0.466024    558.199   -90.5713     50.8703   89.4287      281.24    89.4287      
1 1 1 18  14 3  o 13 2.82634      0.54731     254.645   85.9362      197.585   85.9362      18.0407   -94.0638     
1 1 1 18  14 4  o 13 2.41459      0.461222    525.551   -158.175     60.0704   -158.175     211.003   21.8254      
1 1 1 18  14 5  o 13 2.73359      0.660595    348.362   -9.07758     267.847   -9.07758     25.1812   170.922      
1 1 1 18  14 6  o 12 2.43316      0.567819    197.378   74.3057      144.103   74.3057      17.0927   -105.694     
1 1 1 18  14 7  o 19 1.41516      0.401323    272.058   -139.47      55.4046   40.5303      147.983   40.5303      
1 1 1 18  14 8  o 5  3.5036       0.44684     279.553   -90.8937     496       -90.8937     128.311   -90.8937     
1 1 1 18  14 9  o 14 -0.0578289   0.361433    88.6415   -22.6301     67.004    157.37       70.0491   157.37       
1 1 1 18  14 10 o 19 2.05921      0.404344    497.043   173.564      203.246   173.564      96.8956   -6.4356      
1 1 1 18  14 11 o 1  2.34707      0.473834    375.212   -132.719     385.376   -132.719     45.6075   -132.719     
1 1 1 18  14 12 o 9  0.551678     0.386564    269.078   73.1198      10.5409   73.1198      97.7767   -106.88      
1 1 1 18  14 13 o 3  0.999275     0.388697    99.7352   -83.3284     97.334    -83.3284     10.9373   -83.3284     
1 1 1 18  16 0  o 6  0.377547     0.34941     343.581   -93.1429     124.486   86.8571      200.268   86.8571      
1 1 1 18  16 1  o 6  0.595841     0.380131    216.17    157.956      30.1461   -22.0443     101.592   -22.0443     
1 1 1 18  16 2  f 0  1.65719      0.401455    557.345   -138.969     105.33    -138.969     169.177   41.0315      
1 1 1 18  16 3  o 5  0.471039     0.399544    524.039   91.0184      340.105   -88.9816     377.32    -88.9816     
1 1 1 18  16 4  f 0  2.10536      0.410662    427.662   132.389      300.784   132.389      17.6717   -47.6107     
1 1 1 18  16 5  o 12 -0.0679893   0.324476    145.205   28.6979      94.768    -151.302     104.029   -151.302     
1 1 1 18  16 6  o 16 0.433003     0.341867    129.565   178.463      7.01771   -1.53678     53.4405   -1.53678     
1 1 1 18  16 7  o 10 1.14109      0.491278    325.226   63.4835      167.352   63.4835      39.1309   -116.516     
1 1 1 18  16 8  o 10 0.571552     0.468736    47.4644   -10.6978     7.87358   -10.6978     14.0196   169.302      
1 1 1 19  1  0  o 6  78.2145      2.15012     2031.96   10.1951      2249.1    10.1951      189.932   10.1951      
1 1 1 19  1  1  o 14 79.5744      2.05502     2243.33   -163.005     2419.41   -163.005     186.99    -163.005     
1 1 1 19  1  2  o 12 47.4924      1.60927     2075.73   171.184      540.714   171.184      662.973   -8.81559     
1 1 1 19  1  3  o 18 6.32529      0.334659    747.406   91.8378      ?         ?            ?         ?            
1 1 1 19  1  4  o 5  12.7827      0.490642    1067.03   136.961      45.8517   136.961      441.455   -43.0388     
1 1 1 19  1  5  o 14 181.926      4.57586     2862.52   164.426      4728.16   164.426      1133.64   164.426      
1 1 1 19  1  6  o 10 9.48798      0.6481      1233.91   131.311      346.832   -48.6886     699.507   -48.6886     
1 1 1 19  1  7  o 17 57.7598      2.17037     2172.08   160.793      2094.36   160.793      127.481   160.793      
1 1 1 19  1  8  o 6  13.6181      0.726389    390.22    56.5438      275.576   56.5438      25.6729   -123.456     
1 1 1 19  1  9  o 3  13.0013      1.00617     597.885   3.01105      938.39    3.01105      222.994   3.01105      
1 1 1 19  1  10 o 11 10.3855      0.63927     1282.47   112.708      ?         ?            ?         ?            
1 1 1 19  1  11 f 0  19.4715      0.900353    1185.79   -170.823     1186.51   -170.823     118.194   -170.823     
1 1 1 19  1  12 o 14 59.4552      1.93316     2000.74   -146.171     2502.63   -146.171     438.667   -146.171     
1 1 1 19  1  13 o 8  76.1256      2.61684     2042.34   -23.5229     2958.83   -23.5229     618.621   -23.5229     
1 1 1 19  1  14 o 4  18.8659      1.03574     697.849   -88.8253     1054.43   -88.8253     219.879   -88.8253     
1 1 1 19  1  15 o 16 45.4714      1.99232     1375.15   -63.2849     2230.79   -63.2849     493.079   -63.2849     
1 1 1 19  1  16 o 6  27.7723      1.21644     946.831   -106.79      1626.15   -106.79      383.813   -106.79      
1 1 1 19  1  17 o 1  12.3278      0.683147    709.299   162.906      1051.69   162.906      205.851   162.906      
1 1 1 19  1  18 o 6  23.0495      1.26477     717.96    -56.8622     1498.53   -56.8622     422.094   -56.8622     
1 1 1 19  1  19 o 5  11.3353      0.725398    571.447   -27.8698     1160.98   -27.8698     318.955   -27.8698     
1 1 1 19  1  20 o 12 8.73157      0.800268    330.803   -144.773     1071.94   -144.773     392.123   -144.773     
1 1 1 19  1  21 o 14 4.96911      0.740618    398.181   -39.4555     638.308   -39.4555     159.211   -39.4555     
1 1 1 19  1  22 o 13 1.72515      0.431719    239.757   89.9904      311       89.9904      62.8345   89.9904      
1 1 1 19  3  0  o 18 28.8022      1.01603     1740.95   -178.051     655.931   -178.051     441.746   1.9492       
1 1 1 19  3  1  o 16 173.04       4.67866     2647.46   12.5185      4161.65   12.5185      917.377   12.5185      
1 1 1 19  3  2  o 8  16.6393      0.63881     330.044   34.1774      113.558   34.1774      87.0318   -145.823     
1 1 1 19  3  3  o 4  116.324      3.39402     1852.3    -37.8023     3869.71   -37.8023     1135.01   -37.8023     
1 1 1 19  3  4  o 2  34.5752      1.53323     1298.34   156.348      1250.67   156.348      69.028    156.348      
1 1 1 19  3  5  o 1  41.0914      2.19266     1489.09   -170.745     1916.79   -170.745     324.173   -170.745     
1 1 1 19  3  6  o 4  198.854      6.42203     3562.25   -80.6822     4617.93   -80.6822     800.823   -80.6822     
1 1 1 19  3  7  o 19 29.864       1.34991     1280.07   121.477      1544.13   121.477      235.136   121.477      
1 1 1 19  3  8  o 11 20.5963      0.953864    1058.35   77.7664      847.886   77.7664      13.458    -102.234     
1 1 1 19  3  9  o 1  9.43358      0.549458    1522.4    127.145      277.796   127.145      479.11    -52.8545     
1 1 1 19  3  10 o 9  6.38248      0.445136    554.712   104.023      200.914   104.023      121.959   -75.9775     
1 1 1 19  3  11 o 4  17.9011      0.752832    1276.77   140.413      1047.59   140.413      9.48621   140.413      
1 1 1 19  3  12 o 8  40.3815      2.15273     1803.02   69.8211      1771.9    69.8211      139.497   69.8211      
1 1 1 19  3  13 o 19 19.0326      1.02406     553.565   17.2055      1135.76   17.2055      328.85    17.2055      
1 1 1 19  3  14 o 4  35.2366      1.66524     1398.72   94.5822      1814.2    94.5822      280.616   94.5822      
1 1 1 19  3  15 o 7  8.10259      0.50918     782.135   95.189       469.666   95.189       120.341   -84.811      
1 1 1 19  3  16 o 14 24.6229      1.18779     681.636   121.159      1728.86   121.159      556.358   121.159      
1 1 1 19  3  17 f 0  6.64964      0.881761    812.591   37.7888      125.863   37.7888      304.486   -142.211     
1 1 1 19  3  18 o 11 6.08079      0.685746    769.582   78.2188      379.932   78.2188      162.626   -101.781     
1 1 1 19  3  19 o 11 17.2389      0.924483    310.945   -156.734     1708.23   -156.734     713.421   -156.734     
1 1 1 19  3  20 o 5  4.2547       0.551474    412.874   -106.665     548.383   -106.665     100.098   -106.665     
1 1 1 19  3  21 o 5  2.81273      0.465257    495.253   -43.8199     313.62    -43.8199     38.9877   136.18       
1 1 1 19  3  22 o 19 0.0193507    0.335906    64.3256   175.739      ?         ?            ?         ?            
1 1 1 19  5  0  o 16 74.3848      2.55273     1433.89   -69.9702     2900.92   -69.9702     838.367   -69.9702     
1 1 1 19  5  1  o 5  29.9376      1.43294     1218.06   34.6616      1332.22   34.6616      146.932   34.6616      
1 1 1 19  5  2  o 17 57.2465      2.04068     1760.28   21.9365      2281.76   21.9365      392.312   21.9365      
1 1 1 19  5  3  o 6  1.04179      0.189538    435.715   100.669      356.092   -79.3313     362.745   -79.3313     
1 1 1 19  5  4  o 3  75.0832      3.10445     1982.01   153.22       2938.29   153.22       632.996   153.22       
1 1 1 19  5  5  o 5  33.4919      1.45376     2062.75   -60.7376     1220.49   -60.7376     253.337   119.262      
1 1 1 19  5  6  o 12 4.35236      0.474591    671.698   91.7898      32.879    -88.2103     294.442   -88.2103     
1 1 1 19  5  7  o 7  0.872022     0.22666     427.491   129.908      ?         ?            ?         ?            
1 1 1 19  5  8  o 3  16.0127      0.823102    1816.08   0.379903     511.716   0.379903     475.234   -179.62      
1 1 1 19  5  9  o 14 17.6519      0.947311    1087.23   -165.558     1190.48   -165.558     159.602   -165.558     
1 1 1 19  5  10 o 3  91.0582      2.5492      2261.68   -90.5755     3174.08   -90.5755     670.404   -90.5755     
1 1 1 19  5  11 o 8  23.5456      1.33308     1285.53   62.8066      1215.05   62.8066      70.9233   62.8066      
1 1 1 19  5  12 o 7  41.7345      1.62119     1448.21   107.073      2089.58   107.073      416.071   107.073      
1 1 1 19  5  13 o 19 9.95747      0.735       490.535   135.412      377.188   135.412      31.4093   -44.5879     
1 1 1 19  5  14 o 14 15.7471      0.779692    652.827   -104.047     1090.58   -104.047     248.842   -104.047     
1 1 1 19  5  15 o 6  4.1026       0.491607    398.334   -74.88       ?         ?            ?         ?            
1 1 1 19  5  16 o 6  37.584       1.38222     1697.3    -138.653     1764.68   -138.653     115.668   -138.653     
1 1 1 19  5  17 o 14 8.7975       0.607409    675.149   -98.7363     723.955   -98.7363     53.2681   -98.7363     
1 1 1 19  5  18 o 13 6.94497      0.719199    525.979   57.6343      753.23    57.6343      136.83    57.6343      
1 1 1 19  5  19 o 19 0.330679     0.335956    341.679   1.24297      230.333   -178.757     262.332   -178.757     
1 1 1 19  5  20 o 14 0.755763     0.423042    139.935   -141.64      9.50899   -141.64      51.254    38.3602      
1 1 1 19  5  21 o 3  1.7652       0.53574     185.353   -166.214     195.633   -166.214     26.2443   -166.214     
1 1 1 19  7  0  o 13 1.41502      0.325964    386.727   89.4332      189.429   -90.5668     255.14    -90.5668     
1 1 1 19  7  1  o 9  13.3455      0.814687    969.181   11.4925      752.954   11.4925      24.4126   -168.507     
1 1 1 19  7  2  o 8  2.9876       0.336625    141.211   -43.2496     93.5932   136.75       104.922   136.75       
1 1 1 19  7  3  f 0  66.426       1.93463     2292.96   173.455      2533.45   173.455      329.287   173.455      
1 1 1 19  7  4  o 17 2.99549      0.36967     722.092   35.2542      388.821   -144.746     487.24    -144.746     
1 1 1 19  7  5  f 0  9.12249      0.513693    800.267   29.1882      550.778   29.1882      46.6374   -150.812     
1 1 1 19  7  6  o 5  8.61884      0.528083    944.275   104.522      519.114   104.522      118.775   -75.4776     
1 1 1 19  7  7  o 8  1.39231      0.317534    892.336   98.0448      528.698   -81.9552     623.01    -81.9552     
1 1 1 19  7  8  o 18 31.2647      1.34896     1487.71   -168.412     1620.94   -168.412     203.858   -168.412     
1 1 1 19  7  9  o 9  66.1752      2.52429     2150.24   -79.1493     2575.64   -79.1493     387.804   -79.1493     
1 1 1 19  7  10 o 19 2.2661       0.337895    1274.19   -17.1431     672.57    162.857      887.612   162.857      
1 1 1 19  7  11 o 18 16.9401      0.830724    1431.93   102.566      716.495   102.566      280.253   -77.4339     
1 1 1 19  7  12 o 15 41.6446      1.95889     1164.54   14.3212      2299.09   14.3212      621.658   14.3212      
1 1 1 19  7  13 o 10 45.2812      2.08303     1069.47   -120.435     2264.8    -120.435     647.415   -120.435     
1 1 1 19  7  14 o 5  10.4203      0.676571    1227.95   -128.087     526.949   -128.087     290.583   51.9134      
1 1 1 19  7  15 o 17 13.6955      0.87795     474.115   46.6705      1273.46   46.6705      421.806   46.6705      
1 1 1 19  7  16 o 11 9.20299      0.678057    636.369   133.583      773.069   133.583      94.6971   133.583      
1 1 1 19  7  17 o 18 0.911657     0.366025    247.26    -72.5642     186.254   107.436      204.958   107.436      
1 1 1 19  7  18 o 7  5.47297      0.577154    359.372   -164.766     720.349   -164.766     207.522   -164.766     
1 1 1 19  7  19 o 10 2.84167      0.443724    237.277   -166.388     84.2261   13.6124      136.57    13.6124      
1 1 1 19  7  20 o 5  -0.0606892   0.418229    235.665   -19.9028     ?         ?            ?         ?            
1 1 1 19  9  0  o 17 15.8402      0.864669    975.918   14.5622      982.751   14.5622      99.5274   14.5622      
1 1 1 19  9  1  o 9  7.14815      0.779799    597.064   7.5568       336.481   7.5568       71.851    -172.443     
1 1 1 19  9  2  o 1  1.89731      0.318841    324.217   -176.148     229.928   3.85187      245.769   3.85187      
1 1 1 19  9  3  o 18 9.28459      0.719137    34.7126   176.453      47.7786   176.453      9.79717   176.453      
1 1 1 19  9  4  o 19 2.19569      0.320688    214.317   -135.383     ?         ?            ?         ?            
1 1 1 19  9  5  o 13 7.72608      0.502477    465.509   -77.686      208.849   -77.686      89.5231   102.314      
1 1 1 19  9  6  o 6  7.13255      0.570757    935.625   126.288      161.272   126.288      317.246   -53.7118     
1 1 1 19  9  7  o 17 8.68438      0.792691    1070.75   29.4735      330.924   29.4735      300.643   -150.526     
1 1 1 19  9  8  o 3  1.97808      0.340577    473.366   87.7547      296.89    -92.2453     359.083   -92.2453     
1 1 1 19  9  9  o 14 4.15007      0.719204    983.03    -67.8144     103.454   112.186      495.892   112.186      
1 1 1 19  9  10 o 15 7.216        0.656266    703.294   -93.3664     100.276   -93.3664     269.252   86.6336      
1 1 1 19  9  11 o 11 8.64651      0.581926    498.01    30.8289      668.85    30.8289      108.998   30.8289      
1 1 1 19  9  12 o 14 18.0975      1.01458     1670.44   -138.939     667.902   -138.939     419.628   41.0609      
1 1 1 19  9  13 o 13 5.83245      1.02024     909.801   -72.4213     331.083   -72.4213     247.05    107.579      
1 1 1 19  9  14 o 2  4.2089       0.598105    442.187   96.3133      223.003   96.3133      91.1648   -83.6867     
1 1 1 19  9  15 o 2  2.309        0.42985     120.286   -69.9456     51.8175   110.054      80.6654   110.054      
1 1 1 19  9  16 o 19 3.80004      0.518049    740.523   132.267      182.905   132.267      230.067   -47.7329     
1 1 1 19  9  17 o 2  0.592859     0.331359    210.45    107.501      ?         ?            ?         ?            
1 1 1 19  9  18 o 3  0.810161     0.40835     327.377   -124.905     115.489   55.095       185.886   55.095       
1 1 1 19  9  19 o 2  3.99634      0.555322    285.268   25.7714      717.488   25.7714      251.741   25.7714      
1 1 1 19  11 0  o 3  6.50975      0.636516    1184.16   -39.4335     12.4947   140.567      530.823   140.567      
1 1 1 19  11 1  o 10 13.7955      0.773054    1024.32   -168.539     740.038   -168.539     85.3362   11.461       
1 1 1 19  11 2  o 7  14.1885      1.9453      747.712   -141.843     873.59    -141.843     102.662   -141.843     
1 1 1 19  11 3  o 4  20.0065      0.971699    1225.51   125.288      960.901   125.288      70.5236   -54.7116     
1 1 1 19  11 4  o 3  10.4229      0.630514    564.794   27.8498      657.1     27.8498      73.2013   27.8498      
1 1 1 19  11 5  o 14 4.33536      0.414422    657.354   -79.4572     100.949   100.543      348.765   100.543      
1 1 1 19  11 6  o 14 4.40289      0.445316    503.852   113.005      108.62    113.005      174.471   -66.9952     
1 1 1 19  11 7  o 10 9.73778      0.69345     520.017   150.62       743.204   150.62       136.03    150.62       
1 1 1 19  11 8  f 0  12.095       0.676593    422.207   123.087      1008.85   123.087      313.788   123.087      
1 1 1 19  11 9  o 8  14.2325      0.734286    794.589   -88.2095     1112.19   -88.2095     197.492   -88.2095     
1 1 1 19  11 10 o 3  8.18279      0.776836    1022.62   -138.949     499.142   -138.949     214.409   41.0512      
1 1 1 19  11 11 o 12 3.50025      0.592046    570.437   175.429      180.503   175.429      170.862   -4.57067     
1 1 1 19  11 12 o 15 8.14976      0.608784    901.697   5.52862      622.048   5.52862      101.964   -174.471     
1 1 1 19  11 13 o 9  5.01558      0.704429    221.523   141.694      589.729   141.694      195.876   141.694      
1 1 1 19  11 14 o 15 5.92437      0.619142    639.991   -78.5342     692.844   -78.5341     75.3888   -78.5341     
1 1 1 19  11 15 o 6  2.09534      0.494284    391.154   36.0108      147.986   36.0107      82.8903   -143.989     
1 1 1 19  11 16 o 19 -0.0627694   0.300944    57.7709   -110.921     ?         ?            ?         ?            
1 1 1 19  11 17 o 9  0.0665009    0.381835    167.234   -42.5197     78.2375   137.48       101.832   137.48       
1 1 1 19  13 0  o 7  4.06504      0.44634     611.484   22.8699      163.478   22.8699      194.118   -157.13      
1 1 1 19  13 1  o 13 2.13296      0.422346    1014.23   -84.9264     315.06    95.0736      615.101   95.0736      
1 1 1 19  13 2  f 0  9.38064      0.748649    307.327   -72.8583     768.095   -72.8583     245.343   -72.8583     
1 1 1 19  13 3  o 15 2.76756      0.451205    514.665   141.961      51.6244   -38.0392     258.367   -38.0392     
1 1 1 19  13 4  f 0  3.39694      0.631492    426.723   -172.173     191.358   -172.173     97.6237   7.82727      
1 1 1 19  13 5  o 8  0.368288     0.373491    596.51    142.951      ?         ?            ?         ?            
1 1 1 19  13 6  o 15 10.9036      0.73642     505.603   -88.8614     1088.19   -88.8614     312.928   -88.8614     
1 1 1 19  13 7  o 14 8.60289      0.698278    505.761   -2.42094     908.352   -2.42094     222.12    -2.42094     
1 1 1 19  13 8  o 8  2.54893      0.417528    439.927   -135.326     225.744   -135.326     88.3094   44.6738      
1 1 1 19  13 9  o 11 0.577353     0.381054    454.92    148.323      370.562   -31.6766     389.804   -31.6766     
1 1 1 19  13 10 o 9  2.19356      0.427368    432.934   -122.408     125.053   -122.408     125.456   57.5917      
1 1 1 19  13 11 o 1  1.86166      0.440085    314.457   164.903      192.278   164.903      34.2371   -15.0973     
1 1 1 19  13 12 o 3  2.07857      0.421111    237.056   174.58       292.479   174.58       51.6813   174.58       
1 1 1 19  13 13 o 7  2.73342      0.439295    371.904   -36.0895     432.019   -36.0895     70.738    -36.0895     
1 1 1 19  13 14 o 5  -0.421427    0.199709    275.186   -139.12      ?         ?            ?         ?            
1 1 1 19  15 0  o 6  1.0961       0.442349    200.237   33.4161      3.85203   -146.584     90.9728   -146.584     
1 1 1 19  15 1  o 18 2.84054      0.532401    1056.76   -121.013     187.729   58.9868      561.487   58.9868      
1 1 1 19  15 2  o 12 0.336427     0.385317    270.381   -50.8861     158.387   129.114      197.784   129.114      
1 1 1 19  15 3  o 4  2.09089      0.462685    229.847   -100.986     179.337   -100.986     9.80004   79.0141      
1 1 1 19  15 4  o 16 1.42222      0.41387     269.079   126.834      96.2446   126.834      66.2175   -53.1661     
1 1 1 19  15 5  o 15 0.512443     0.385767    122.104   12.2485      46.6676   -167.752     74.0798   -167.752     
1 1 1 19  15 6  o 14 0.46649      0.357162    241.112   95.9671      97.5586   -84.0329     146.681   -84.0329     
1 1 1 19  15 7  o 16 0.387912     0.376013    400.65    -23.4219     129.174   156.578      224.091   156.578      
1 1 1 19  15 8  o 7  0.0243382    0.426771    245.448   -174.193     121.901   5.80741      157.347   5.80741      
1 1 1 19  15 9  o 17 1.89553      0.439795    259.165   130.042      342.289   130.042      70.8385   130.042      
1 1 1 19  15 10 o 11 -0.173188    0.161235    52.7218   -6.77167     37.7898   173.228      38.7472   173.228      
1 1 1 19  17 0  o 7  0.851761     0.441434    273.044   88.3279      91.8553   88.3279      56.6826   -91.6721     
1 1 1 19  17 1  o 4  1.45415      0.542133    58.5109   -8.29053     115.256   -8.29053     35.6909   -8.29053     
1 1 1 19  17 2  o 5  1.44346      0.39168     449.01    -66.8649     216.025   -66.8649     60.404    113.135      
1 1 1 19  17 3  o 1  1.15646      0.361342    188.516   36.2567      185.106   36.2567      20.639    36.2567      
1 1 1 20  0  0  o 11 344.404      9.22856     4087.05   180          6027.45   -180         1144.14   -180         
1 1 1 20  0  1  f 0  52.3779      2.41643     2215.63   0            1880.44   0            64.2486   180          
1 1 1 20  0  2  o 16 159.357      5.91439     2263.31   0            3477.94   0            726.653   0            
1 1 1 20  0  3  o 8  19.5984      1.57452     2298.96   0            224.179   0            900.101   180          
1 1 1 20  0  4  o 16 11.2368      0.607844    563.345   0            51.4636   0            218.663   180          
1 1 1 20  0  5  f 0  1.25938      0.452181    1479.89   180          ?         ?            ?         ?            
1 1 1 20  0  6  o 19 2.88893      0.518493    1082.55   0            717.265   180          819.644   180          
1 1 1 20  0  7  o 7  14.1062      1.07967     441.746   180          349.564   180          12.0077   2.11285e-13  
1 1 1 20  0  8  o 3  6.55368      1.25024     615.146   180          260.788   180          126.724   2.14565e-14  
1 1 1 20  0  9  o 6  19.0203      1.37182     283.203   180          1144.19   180          455.796   180          
1 1 1 20  0  10 o 1  0.645772     0.286283    666.481   0            531.481   180          534.51    180          
1 1 1 20  0  11 o 9  34.3236      2.15097     1146.38   0            2263.13   0            672.146   0            
1 1 1 20  0  12 o 11 18.1311      1.15854     1074.81   0            1006.85   0            65.3718   0            
1 1 1 20  0  13 o 7  372.751      12.3722     5022.08   180          6462.34   180          1103.41   180          
1 1 1 20  0  14 o 6  15.5713      1.38261     336.97    180          541.85    180          121.887   180          
1 1 1 20  0  15 o 16 22.747       1.23666     367.435   0            1592.25   0            629.624   0            
1 1 1 20  0  16 o 3  26.7032      1.64072     1009.66   180          1926.73   180          505.943   180          
1 1 1 20  0  17 o 9  27.0438      2.1107      1264.69   180          1746.18   180          302.407   180          
1 1 1 20  0  18 o 10 26.3795      1.52008     1239.61   180          1389.32   180          128.918   180          
1 1 1 20  0  19 o 18 4.60912      0.647944    541.016   0            490.401   0            1.90691   180          
1 1 1 20  0  20 o 13 2.24735      0.996984    66.4801   0            ?         ?            ?         ?            
1 1 1 20  0  21 o 19 0.898922     0.56201     440.819   180          175.695   7.05424e-15  264.012   2.34723e-15  
1 1 1 20  0  22 o 6  6.14969      0.902135    485.114   0            971.238   0            299.052   0            
1 1 1 20  2  0  o 1  131.21       4.05231     3374.44   65.2836      2704.78   65.2836      159.454   -114.716     
1 1 1 20  2  1  o 9  143.29       4.50163     1953.67   -115.38      3923.77   -115.38      1093.19   -115.38      
1 1 1 20  2  2  o 11 22.7393      0.983581    1088.8    -44.4482     40.3674   -44.4482     458.751   135.552      
1 1 1 20  2  3  o 10 80.1971      2.13975     2489.58   80.4861      1476.31   80.4861      344.109   -99.5139     
1 1 1 20  2  4  o 10 253.475      6.90036     3706.35   -116.677     5380.41   -116.677     1095.54   -116.677     
1 1 1 20  2  5  o 13 167.579      4.14629     3192.11   -24.0634     4107.82   -24.0634     690.885   -24.0634     
1 1 1 20  2  6  o 19 23.018       1.13864     1032.31   91.5656      897.246   91.5656      10.5095   91.5656      
1 1 1 20  2  7  o 7  1.97242      0.279022    279.751   -132.021     198.92    47.9794      217.216   47.9794      
1 1 1 20  2  8  o 5  74.1197      2.30051     2274.87   -87.7635     2775.34   -87.7635     443.149   -87.7635     
1 1 1 20  2  9  o 11 6.08098      0.426954    1106.16   -23.8512     86.4253   156.149      494.165   156.149      
1 1 1 20  2  10 o 12 12.8525      0.761261    1337.04   136.674      598.759   136.674      237.573   -43.3261     
1 1 1 20  2  11 o 7  38.279       1.60299     1925.66   122.035      1689.79   122.035      71.2381   122.035      
1 1 1 20  2  12 o 3  59.6861      2.05367     2023.26   -61.6227     2424.29   -61.6227     379.7     -61.6227     
1 1 1 20  2  13 o 18 26.6953      1.32627     907.618   45.265       1695.7    45.265       458.595   45.265       
1 1 1 20  2  14 o 5  2.38218      0.353295    782.944   -60.2632     362.042   119.737      530.281   119.737      
1 1 1 20  2  15 o 13 6.9242       0.769288    751.829   -112.214     244.852   -112.214     218.857   67.786       
1 1 1 20  2  16 o 8  18.5277      0.9838      1130.2    36.2155      999.842   36.2155      11.2911   -143.785     
1 1 1 20  2  17 o 7  2.377        0.432302    960.628   -17.7256     ?         ?            ?         ?            
1 1 1 20  2  18 o 8  7.81614      0.738214    229.749   69.5292      719.219   69.5292      254.465   69.5292      
1 1 1 20  2  19 o 17 6.38665      0.672061    559.782   36.8148      662.491   36.8148      77.0279   36.8148      
1 1 1 20  2  20 o 6  4.20563      0.502889    215.705   65.3249      523.036   65.3249      169.892   65.3249      
1 1 1 20  2  21 o 13 6.33681      0.612816    400.903   -96.5873     873.048   -96.5873     277.559   -96.5873     
1 1 1 20  2  22 o 4  1.80164      0.524481    222.359   -23.5714     260.121   -23.5714     45.4321   -23.5714     
1 1 1 20  4  0  o 5  240.057      6.53196     4368.49   -96.2818     4217.06   -96.2818     226.005   -96.2818     
1 1 1 20  4  1  o 14 40.3422      1.27416     2451.11   -27.8153     1096.22   -27.8153     505.181   152.185      
1 1 1 20  4  2  o 11 31.7381      1.26457     1655.61   69.6725      336.024   69.6725      540.785   -110.327     
1 1 1 20  4  3  o 8  25.5029      1.24762     1151.7    88.1525      550.377   88.1525      215.938   -91.8475     
1 1 1 20  4  4  f 0  1.38481      0.427372    872.259   -35.6584     ?         ?            ?         ?            
1 1 1 20  4  5  o 12 76.6432      2.4897      2504.3    99.1955      2572.29   99.1955      228.537   99.1955      
1 1 1 20  4  6  o 13 11.84        0.665059    660.963   -41.1043     236.6     -41.1043     158.354   138.896      
1 1 1 20  4  7  o 10 0.694055     0.193415    887.486   137.066      ?         ?            ?         ?            
1 1 1 20  4  8  o 13 9.70883      0.522048    492.104   -141.232     444.595   -141.232     22.3574   -141.232     
1 1 1 20  4  9  o 2  16.8003      0.684262    1153.42   19.159       1012.83   19.159       43.5276   19.159       
1 1 1 20  4  10 o 16 17.1691      1.09333     1503.22   -171.89      732.671   -171.89      237.538   8.10968      
1 1 1 20  4  11 o 11 78.2608      3.34949     2162.13   78.1481      2889.66   78.1481      557.83    78.1481      
1 1 1 20  4  12 o 2  32.7314      1.45448     1718.51   -75.5109     1470.58   -75.5109     3.18204   -75.5109     
1 1 1 20  4  13 o 17 1.05173      0.355877    523.679   -78.68       ?         ?            ?         ?            
1 1 1 20  4  14 o 18 70.4578      2.34151     1529.27   136.69       3092.99   136.69       853.652   136.69       
1 1 1 20  4  15 o 13 26.1334      1.26487     1526.26   179.269      1195.95   179.269      93.8453   -0.731104    
1 1 1 20  4  16 o 12 15.0343      0.820932    1050.19   -69.7658     501.62    -69.7658     222.967   110.234      
1 1 1 20  4  17 o 13 12.8275      1.1521      352.326   -18.427      862.453   -18.427      270.853   -18.427      
1 1 1 20  4  18 o 2  6.79758      0.543286    231.012   -141.67      619.062   -141.67      203.634   -141.67      
1 1 1 20  4  19 o 14 10.5463      0.830202    182.679   22.0343      1107.68   22.0343      473.442   22.0343      
1 1 1 20  4  20 o 9  19.5288      1.13342     313.978   96.7435      1774.57   96.7435      759.598   96.7435      
1 1 1 20  4  21 o 3  0.496482     0.37692     406.622   147.869      ?         ?            ?         ?            
1 1 1 20  4  22 o 17 1.06053      0.503562    174.633   91.6644      115.308   -88.3356     123.802   -88.3356     
1 1 1 20  6  0  o 2  9.79405      0.620166    904.508   -50.4277     406.695   -50.4277     178.098   129.572      
1 1 1 20  6  1  o 10 10.2421      0.520597    1698.49   68.4676      3.13407   -111.532     716.414   -111.532     
1 1 1 20  6  2  o 15 12.1043      0.700819    788.204   -97.2842     650.765   -97.2842     5.1429    82.7158      
1 1 1 20  6  3  o 3  78.2148      2.91899     2020.4    88.1623      3082.5    88.1623      698.914   88.1623      
1 1 1 20  6  4  o 4  5.19814      0.375955    1220.27   -67.2333     436.998   112.767      722.995   112.767      
1 1 1 20  6  5  o 1  11.3718      0.504105    1614.15   79.8781      214.042   79.8781      553.161   -100.122     
1 1 1 20  6  6  o 15 1.19194      0.237222    276.466   171.727      ?         ?            ?         ?            
1 1 1 20  6  7  o 14 7.75714      0.472788    908.304   -154.069     54.2644   -154.069     337.157   25.9312      
1 1 1 20  6  8  o 9  30.7702      1.17249     1207.46   -133.591     1750.97   -133.591     390.857   -133.591     
1 1 1 20  6  9  o 19 7.65535      0.560518    903       130.008      193.013   130.008      271.259   -49.9917     
1 1 1 20  6  10 o 15 8.3293       0.66262     491.93    13.3287      229.476   -166.671     320.983   -166.671     
1 1 1 20  6  11 o 18 5.51445      0.490744    596.413   -15.9753     412.916   164.025      465.752   164.025      
1 1 1 20  6  12 o 14 12.3397      0.616859    818.054   -80.9285     641.036   -80.9285     46.0843   99.0715      
1 1 1 20  6  13 o 16 32.2362      1.52323     618.122   159.917      2100.07   159.917      769.417   159.917      
1 1 1 20  6  14 o 14 5.28188      0.446687    329.519   68.4087      198.772   -111.591     248.532   -111.591     
1 1 1 20  6  15 o 3  14.5405      0.8505      976.065   150.7        1024.41   150.7        71.7418   150.7        
1 1 1 20  6  16 o 8  7.15442      0.601033    339.647   -35.5633     618.465   -35.5633     154.436   -35.5633     
1 1 1 20  6  17 o 9  7.08614      0.724133    198.107   -71.3669     655.504   -71.3669     236.967   -71.3669     
1 1 1 20  6  18 f 0  0.31625      0.344386    390.218   -99.6111     ?         ?            ?         ?            
1 1 1 20  6  19 o 13 8.09425      0.745539    559.737   106.456      940.522   106.456      241.518   106.456      
1 1 1 20  6  20 o 7  1.13481      0.386433    409.229   163.19       76.8788   163.19       121.741   -16.81       
1 1 1 20  6  21 o 13 0.92131      0.49282     291.623   -6.16414     56.9689   173.836      137.766   173.836      
1 1 1 20  8  0  o 6  35.3945      1.58912     2256.64   71.2975      1190.66   71.2975      314.254   -108.703     
1 1 1 20  8  1  o 13 16.2894      0.772627    994.961   -3.95103     1014.59   -3.95103     107.005   -3.95103     
1 1 1 20  8  2  o 12 20.4237      1.16        1168.05   -70.8135     1037.48   -70.8135     49.9257   -70.8135     
1 1 1 20  8  3  o 13 10.3561      0.650366    1553.96   86.6042      273.25    86.6042      486.006   -93.3958     
1 1 1 20  8  4  o 13 13.0379      0.905162    1906.05   -90.4314     173.129   -90.4314     677.671   89.5686      
1 1 1 20  8  5  o 6  15.9685      0.896692    1037.8    -112.796     897.719   -112.796     30.4709   -112.796     
1 1 1 20  8  6  o 15 30.1127      1.31098     1494.83   68.2253      1592.28   68.2253      185.908   68.2253      
1 1 1 20  8  7  o 5  18.2825      1.32675     1511.21   -161.706     861.748   -161.706     198.891   18.2938      
1 1 1 20  8  8  o 16 38.2393      2.02837     1708.56   -64.0354     1781.91   -64.0354     159.435   -64.0354     
1 1 1 20  8  9  o 17 29.9838      1.1808      1432.87   110.301      1506.17   110.301      122.071   110.301      
1 1 1 20  8  10 o 7  2.44643      0.40983     675.564   97.5561      297.484   -82.4439     452.746   -82.4439     
1 1 1 20  8  11 o 2  17.8021      0.950215    1157.67   -82.9194     938.477   -82.9194     56.395    97.0806      
1 1 1 20  8  12 o 10 12.0834      0.927618    1502.75   85.3896      118.513   85.3896      621.312   -94.6104     
1 1 1 20  8  13 o 9  2.60073      0.500686    597.235   43.3106      209.049   -136.689     373.953   -136.689     
1 1 1 20  8  14 o 1  16.4747      1.26063     1549.38   -41.2522     724.62    -41.2522     340.809   138.748      
1 1 1 20  8  15 o 10 11.16        0.695031    654.344   -142.851     1071.94   -142.851     235.84    -142.851     
1 1 1 20  8  16 o 8  1.65376      0.420855    251.621   -175.886     6.91135   -175.886     110.451   4.11422      
1 1 1 20  8  17 o 12 5.39985      0.554116    637.4     93.4562      599.532   93.4562      27.4978   93.4562      
1 1 1 20  8  18 o 15 4.65809      0.502534    310.609   66.0929      725.203   66.0929      238.314   66.0929      
1 1 1 20  8  19 o 3  0.772349     0.456617    454.299   -107.93      17.9909   72.07        185.092   72.07        
1 1 1 20  10 0  o 3  9.39505      0.630482    1589.99   112.393      53.354    112.393      640.723   -67.6065     
1 1 1 20  10 1  o 9  2.05153      0.318741    326.353   -15.7973     ?         ?            ?         ?            
1 1 1 20  10 2  o 17 4.09796      0.40824     497.831   -14.0265     318.258   165.974      370.875   165.974      
1 1 1 20  10 3  o 12 2.25007      0.302426    1257.92   -6.38862     590.838   173.611      836.572   173.611      
1 1 1 20  10 4  o 7  7.11332      0.494623    900.097   30.506       99.7666   30.506       342.728   -149.494     
1 1 1 20  10 5  o 17 3.28599      0.473611    793.934   -119.373     247.128   60.6269      475.04    60.6269      
1 1 1 20  10 6  o 8  4.70983      0.770755    620.852   -2.55137     86.7916   177.449      321.959   177.449      
1 1 1 20  10 7  f 0  10.0947      0.665309    901.855   -133.031     602.605   -133.031     107.064   46.9689      
1 1 1 20  10 8  o 10 12.9355      0.630517    718.907   -120.509     950.175   -120.509     148.609   -120.509     
1 1 1 20  10 9  o 12 16.799       0.858341    671.514   83.4035      1219.4    83.4035      305.546   83.4035      
1 1 1 20  10 10 o 8  8.91276      0.655885    917.229   -133.305     569.343   -133.305     129.247   46.6955      
1 1 1 20  10 11 o 16 5.31543      0.771659    588.872   -52.7932     402.487   -52.7932     64.9315   127.207      
1 1 1 20  10 12 o 5  0.234604     0.416664    219.954   43.1705      ?         ?            ?         ?            
1 1 1 20  10 13 o 7  4.09546      0.561001    298.562   -101         366.793   -101         46.4116   -101         
1 1 1 20  10 14 o 5  0.757264     0.411294    246.547   169.822      154.932   -10.1776     188.502   -10.1776     
1 1 1 20  10 15 o 11 1.96147      0.473421    231.228   -103.195     190.872   -103.195     3.22886   76.8051      
1 1 1 20  10 16 o 17 9.11625      0.680593    860.653   -78.2234     894.059   -78.2234     101.128   -78.2234     
1 1 1 20  10 17 o 14 2.25406      0.426122    195.345   -12.3343     269.04    -12.3343     58.3194   -12.3343     
1 1 1 20  10 18 o 18 0.742873     0.420156    419.841   -51.2342     7.49249   -51.2342     153.563   128.766      
1 1 1 20  12 0  o 15 15.6014      0.857583    654.743   122.848      1067.65   122.848      236.521   122.848      
1 1 1 20  12 1  o 1  1.15552      0.36509     610.777   61.0012      337.076   -118.999     445.805   -118.999     
1 1 1 20  12 2  o 18 1.76587      0.374587    482.851   46.7411      270.558   -133.259     354.316   -133.259     
1 1 1 20  12 3  o 12 28.4134      1.19168     1299.57   -71.7333     1576.41   -71.7333     199.472   -71.7333     
1 1 1 20  12 4  o 12 4.54472      0.475257    828.873   43.8325      77.6466   43.8325      335.958   -136.167     
1 1 1 20  12 5  o 18 1.70325      0.528407    415.716   116.069      123.139   -63.9313     249.202   -63.9313     
1 1 1 20  12 6  o 7  5.47209      0.558637    796.379   79.9744      206.733   79.9744      255.956   -100.026     
1 1 1 20  12 7  f 0  1.18162      0.35365     533.854   -36.0449     219.806   143.955      351.431   143.955      
1 1 1 20  12 8  o 4  4.26494      0.438358    160.867   143.842      230.298   143.842      41.9154   143.842      
1 1 1 20  12 9  o 4  3.98661      0.512144    354.033   -16.3104     358.91    -16.3104     17.1933   -16.3104     
1 1 1 20  12 10 o 9  6.88176      0.628792    632.295   17.3893      598.978   17.3893      9.97137   17.3893      
1 1 1 20  12 11 o 13 6.85812      0.594274    655.243   -152.052     726.026   -152.052     68.9234   -152.052     
1 1 1 20  12 12 o 15 3.71355      0.476378    257.635   18.4714      494.289   18.4714      136.464   18.4714      
1 1 1 20  12 13 o 8  0.962898     0.379919    603.917   16.5542      358.707   -163.446     425.498   -163.446     
1 1 1 20  12 14 o 18 1.37001      0.43897     468.489   109.465      103.53    109.465      132.882   -70.5355     
1 1 1 20  12 15 o 14 1.78358      0.722334    530.74    -115.077     172.294   -115.077     117.641   64.9232      
1 1 1 20  14 0  o 8  7.83603      0.602128    505.342   -12.584      755.791   -12.584      146.343   -12.584      
1 1 1 20  14 1  f 0  2.3954       0.417086    981.786   33.7895      194.39    -146.211     547.374   -146.211     
1 1 1 20  14 2  o 7  2.04884      0.522929    47.5144   -7.45732     13.9659   -7.45732     14.8184   172.543      
1 1 1 20  14 3  o 12 4.61351      0.614859    101.082   65.8182      209.449   65.8182      58.3575   65.8182      
1 1 1 20  14 4  o 14 2.04466      0.439008    648.567   56.8247      236.166   -123.175     414.73    -123.175     
1 1 1 20  14 5  o 13 2.04407      0.523542    738.675   -104.129     103.637   75.8707      386.996   75.8707      
1 1 1 20  14 6  o 16 2.25577      0.456627    221.295   -9.65354     159.883   -9.65353     18.8745   170.346      
1 1 1 20  14 7  o 2  2.45916      0.585483    550.806   -172.334     215.781   -172.334     131.728   7.66634      
1 1 1 20  14 8  f 0  4.07013      0.590059    352.113   63.4891      589.477   63.4891      146.754   63.4891      
1 1 1 20  14 9  o 13 0.260472     0.37921     117.791   2.43321      55.4484   -177.567     75.5169   -177.567     
1 1 1 20  14 10 o 1  1.41839      0.440029    458.981   -58.9548     144.275   -58.9548     109.482   121.045      
1 1 1 20  14 11 o 1  3.78899      0.512208    441.878   65.9985      604.849   65.9985      130.404   65.9985      
1 1 1 20  14 12 o 12 1.11098      0.429885    186.141   -118.493     173.437   -118.493     16.428    -118.493     
1 1 1 20  16 0  o 6  0.377116     0.450275    308.877   65.2839      89.303    -114.716     167.66    -114.716     
1 1 1 20  16 1  o 9  0.382631     0.415559    427.955   23.7054      181.596   -156.295     260.696   -156.295     
1 1 1 20  16 2  o 8  0.37905      0.346559    286.08    82.4745      121.193   -97.5255     173.668   -97.5255     
1 1 1 20  16 3  o 7  0.331711     0.374722    410.467   -49.726      229.87    130.274      276.339   130.274      
1 1 1 20  16 4  o 19 1.37695      0.414113    450.104   -77.5326     148.67    -77.5326     101.592   102.467      
1 1 1 20  16 5  o 17 1.31799      0.393403    340.848   -55.2404     191.177   -55.2404     36.4133   124.76       
1 1 1 20  16 6  o 7  0.61557      0.378175    94.1808   -161.234     25.8484   -161.234     22.9548   18.7656      
1 1 1 20  16 7  o 13 1.28957      0.537905    283.515   -179.774     218.954   -179.774     3.24351   -179.774     
1 1 1 21  1  0  o 9  83.0697      2.61996     3237.69   -109.694     1564.25   -109.694     674.965   70.3058      
1 1 1 21  1  1  o 6  9.02613      0.523689    596.726   -24.8748     ?         ?            ?         ?            
1 1 1 21  1  2  o 7  90.2541      2.28385     2188      95.9233      2598.58   95.9233      333.949   95.9233      
1 1 1 21  1  3  o 7  33.3335      1.18369     1688.14   -137.787     521.45    -137.787     474.658   42.2131      
1 1 1 21  1  4  o 4  69.0054      2.53854     2274.88   67.9451      1791.45   67.9451      84.233    -112.055     
1 1 1 21  1  5  o 16 15.2026      0.778388    1217.95   -106.04      ?         ?            ?         ?            
1 1 1 21  1  6  o 10 33.491       1.3603      937.275   -129.739     1268.34   -129.739     236.191   -129.739     
1 1 1 21  1  7  o 19 23.6627      1.32004     1233.59   -29.0286     1364.26   -29.0286     162.536   -29.0286     
1 1 1 21  1  8  o 12 29.6426      1.3407      1209.35   -171.892     1754.64   -171.892     374.794   -171.892     
1 1 1 21  1  9  o 16 38.8633      1.81164     1933.39   -123.925     1582.8    -123.925     2.6393    -123.925     
1 1 1 21  1  10 o 3  0.500591     0.216542    455.158   -153.535     ?         ?            ?         ?            
1 1 1 21  1  11 f 0  29.0888      1.24277     1851.35   8.67057      1306.73   8.67057      90.242    -171.329     
1 1 1 21  1  12 o 17 52.1083      1.72769     2077.24   101.088      2150      101.088      220.87    101.088      
1 1 1 21  1  13 o 4  42.6048      1.90506     1173.36   -112.73      2326.09   -112.73      660.099   -112.73      
1 1 1 21  1  14 o 14 21.1205      0.862313    1185.97   -121.516     688.651   -121.516     184.593   58.4841      
1 1 1 21  1  15 o 10 19.1703      1.25775     1101.7    144.792      1156.17   144.792      77.9907   144.792      
1 1 1 21  1  16 o 17 28.7247      1.39349     1188.98   62.1234      1640.76   62.1234      282.575   62.1234      
1 1 1 21  1  17 o 19 3.0864       0.435057    255.621   154.525      86.2768   154.525      72.3398   -25.4753     
1 1 1 21  1  18 o 15 11.6808      0.725963    804.118   -109.556     1011.1    -109.556     137.524   -109.556     
1 1 1 21  1  19 o 10 5.19318      0.683991    622.62    172.68       380.978   172.68       92.1876   -7.32027     
1 1 1 21  1  20 o 6  0.636688     0.393555    308.347   -26.0655     ?         ?            ?         ?            
1 1 1 21  1  21 o 2  0.35967      0.49447     438.246   95.4364      ?         ?            ?         ?            
1 1 1 21  1  22 o 3  6.95802      0.658342    332.337   176.939      1051.91   176.939      399.582   176.939      
1 1 1 21  3  0  o 11 37.9516      1.80715     1432.74   -95.2131     1304.18   -95.2131     27.4785   -95.2131     
1 1 1 21  3  1  o 1  88.4208      2.25295     2777.99   -96.3785     2209.74   -96.3785     100.603   83.6215      
1 1 1 21  3  2  o 4  40.6946      1.68561     1060.4    172.576      1772.66   172.576      428.981   172.576      
1 1 1 21  3  3  o 7  198.591      4.69843     3968.42   -131.423     4273.99   -131.423     435.875   -131.423     
1 1 1 21  3  4  f 0  103.872      2.7681      3302.12   61.828       2702.97   61.828       56.5232   -118.172     
1 1 1 21  3  5  o 19 2.18061      0.70783     862.698   23.6073      724.267   -156.393     728.109   -156.393     
1 1 1 21  3  6  o 2  29.2925      1.1923      375.489   -66.3505     1151.55   -66.3504     417.621   -66.3504     
1 1 1 21  3  7  o 14 10.9742      0.67895     1861.5    13.7306      101.067   13.7306      724.357   -166.269     
1 1 1 21  3  8  o 15 5.95781      0.433347    553.664   118.38       131.179   118.38       161.137   -61.6197     
1 1 1 21  3  9  o 10 11.0796      0.686291    1328.29   10.632       468.904   10.632       300.859   -169.368     
1 1 1 21  3  10 o 4  81.5082      2.6779      1683.33   38.7526      3409.25   38.7526      1030.11   38.7526      
1 1 1 21  3  11 o 10 30.317       1.37004     844.916   -74.2094     1705.54   -74.2094     509.449   -74.2094     
1 1 1 21  3  12 o 18 52.3431      2.06639     1442.27   75.3432      2442.81   75.3432      614.853   75.3432      
1 1 1 21  3  13 o 2  2.44176      0.389416    74.1522   -34.2745     25.5111   145.725      45.2745   145.725      
1 1 1 21  3  14 o 7  39.9489      1.54199     1178.69   -57.6382     1888.84   -57.6382     412.321   -57.6382     
1 1 1 21  3  15 o 9  72.9106      2.16738     2085.87   -20.5685     2689.11   -20.5685     397.856   -20.5685     
1 1 1 21  3  16 o 1  17.4551      1.08068     942.47    -106.837     900.567   -106.837     24.9981   -106.837     
1 1 1 21  3  17 o 4  28.0147      1.28598     360.791   -168.271     2162.7    -168.271     917.613   -168.271     
1 1 1 21  3  18 o 19 1.74049      0.456813    215.497   -42.8083     ?         ?            ?         ?            
1 1 1 21  3  19 o 10 6.42449      0.583089    370.784   19.8729      833.249   19.8729      251.438   19.8729      
1 1 1 21  3  20 o 18 12.8986      0.852621    570.787   -88.3962     1317.58   -88.3962     423.734   -88.3962     
1 1 1 21  3  21 o 7  10.4295      0.779368    527.373   135.428      1205.11   135.428      395.829   135.428      
1 1 1 21  3  22 o 13 1.82173      0.443129    140.53    -117.88      66.1251   -117.88      19.5977   62.12        
1 1 1 21  5  0  o 3  68.6842      2.29842     2300.25   60.4193      2188.65   60.4193      115.983   60.4193      
1 1 1 21  5  1  o 13 25.866       1.4419      880.862   -108.564     1139.13   -108.564     195.461   -108.564     
1 1 1 21  5  2  o 17 114.762      2.65396     2797.76   -74.2687     3394.74   -74.2687     512.059   -74.2687     
1 1 1 21  5  3  o 18 4.51512      0.392703    379.292   -85.6624     314.011   94.3376      317.077   94.3376      
1 1 1 21  5  4  o 3  4.01833      0.484336    494.875   71.8708      11.1765   -108.129     213.155   -108.129     
1 1 1 21  5  5  o 16 19.4779      1.088       292.874   114.32       916.119   114.32       336.369   114.32       
1 1 1 21  5  6  o 8  14.5775      0.801009    636.612   96.3         1116.43   96.3         297.033   96.3         
1 1 1 21  5  7  o 10 2.39946      0.286728    563.406   23.092       ?         ?            ?         ?            
1 1 1 21  5  8  o 12 5.22362      0.41977     467.676   -38.0604     228.348   -38.0604     73.3446   141.94       
1 1 1 21  5  9  o 16 45.4206      1.56313     1798.1    175.393      2079.57   175.393      317.089   175.393      
1 1 1 21  5  10 o 12 48.76        2.49032     2035.17   32.3144      1947.86   32.3144      139.951   32.3144      
1 1 1 21  5  11 o 16 19.0019      0.81827     1781.86   -141.672     572.802   -141.672     469.334   38.3285      
1 1 1 21  5  12 o 8  14.9608      0.859367    1068.73   -133.051     872.526   -133.051     34.5066   46.9493      
1 1 1 21  5  13 o 18 2.43496      0.437032    303.989   56.5468      ?         ?            ?         ?            
1 1 1 21  5  14 o 5  5.84564      0.505371    354.891   -102.872     266.059   -102.872     28.0564   77.1279      
1 1 1 21  5  15 o 6  12.9717      0.779109    591.809   -28.3436     978.592   -28.3436     222.174   -28.3436     
1 1 1 21  5  16 o 1  22.3543      1.18405     1127.84   68.7219      1279.37   68.7219      128.695   68.7219      
1 1 1 21  5  17 o 18 3.73533      0.503945    261.437   -174.069     168.593   -174.069     35.6101   5.93056      
1 1 1 21  5  18 o 3  6.00038      0.677806    579.074   -106.706     389.29    -106.706     66.419    73.2938      
1 1 1 21  5  19 o 5  2.71984      0.436857    259.062   -143.48      169.545   -143.48      24.1483   36.5196      
1 1 1 21  5  20 o 15 12.0471      0.824083    348.105   160.107      1460.89   160.107      592.783   160.107      
1 1 1 21  5  21 o 19 2.23527      0.526832    292.706   -74.7377     419.909   -74.7377     98.7538   -74.7377     
1 1 1 21  7  0  o 8  8.16969      0.58185     1088.41   -85.8826     328.145   -85.8826     284.094   94.1174      
1 1 1 21  7  1  o 16 3.7892       0.371813    268.544   150.899      39.8903   -29.1012     130.17    -29.1012     
1 1 1 21  7  2  o 5  12.2937      0.938392    1419.7    110.386      573.686   110.386      292.947   -69.6141     
1 1 1 21  7  3  o 1  79.1538      2.61723     2000.41   -51.3014     3169.16   -51.3014     772.927   -51.3014     
1 1 1 21  7  4  o 13 5.9181       0.353904    385.656   -138.236     278.297   41.7643      294.557   41.7643      
1 1 1 21  7  5  o 1  3.12032      0.417013    576.803   178.999      40.3572   -1.0008      251.448   -1.0008      
1 1 1 21  7  6  o 17 26.6527      1.29745     1426.31   -122.123     1467.91   -122.123     162.028   -122.123     
1 1 1 21  7  7  o 17 9.00755      0.634159    1006.68   -14.051      486.757   -14.051      163.882   165.949      
1 1 1 21  7  8  o 17 14.1315      0.801949    1531.04   27.0481      563.226   27.0481      350.256   -152.952     
1 1 1 21  7  9  o 1  16.3994      0.958063    376.992   -71.7013     760.414   -71.7013     219.967   -71.7013     
1 1 1 21  7  10 o 10 5.34813      0.574327    284.237   -120.855     81.2304   -120.855     84.1512   59.1455      
1 1 1 21  7  11 o 19 12.535       0.865508    1033.33   -51.7353     644.096   -51.7353     142.835   128.265      
1 1 1 21  7  12 o 1  22.5146      1.19205     968.328   -135.549     1442.45   -135.549     281.505   -135.549     
1 1 1 21  7  13 o 18 15.4874      0.830572    1091.31   -78.263      984.698   -78.2629     1.48131   101.737      
1 1 1 21  7  14 o 4  34.8392      1.354       1205.29   104.158      2038.79   104.158      475.526   104.158      
1 1 1 21  7  15 o 10 1.96935      0.425674    192.39    122.891      50.7121   -57.1088     112.943   -57.1088     
1 1 1 21  7  16 o 16 8.92048      0.724962    724.692   -69.4099     534.288   -69.4099     65.2922   110.59       
1 1 1 21  7  17 o 5  4.93285      0.598903    377.467   -178.508     591.316   -178.508     127.482   -178.508     
1 1 1 21  7  18 o 1  1.71872      0.441574    400.164   59.6229      97.2137   -120.377     214.66    -120.377     
1 1 1 21  7  19 o 9  4.71457      0.602994    431.851   93.6767      538.27    93.6767      98.9483   93.6767      
1 1 1 21  7  20 o 14 0.40105      0.425114    171.308   34.6594      62.6146   -145.341     96.1451   -145.341     
1 1 1 21  9  0  o 3  4.17814      0.494593    1274.57   -38.2794     231.333   141.721      629.76    141.721      
1 1 1 21  9  1  o 1  29.9354      1.44619     1533.5    91.7248      1547.33   91.7248      153.509   91.7248      
1 1 1 21  9  2  o 9  1.75427      0.288086    351.077   -22.5183     219.83    157.482      252.608   157.482      
1 1 1 21  9  3  o 14 16.7504      0.803933    1366.54   -102.332     862.073   -102.332     129.086   77.6679      
1 1 1 21  9  4  o 15 17.5161      0.75677     1472.86   61.5848      750.952   61.5848      235.965   -118.415     
1 1 1 21  9  5  o 16 28.0627      1.33581     1165.25   11.0412      1624.08   11.0412      319.823   11.0412      
1 1 1 21  9  6  o 18 17.5006      0.890702    804.123   -93.3011     1080.79   -93.3011     193.501   -93.3011     
1 1 1 21  9  7  o 8  24.0151      1.41291     1150.01   -10.7922     1425.91   -10.7922     205.906   -10.7922     
1 1 1 21  9  8  o 12 49.7858      1.67191     1746.83   74.6187      2047.98   74.6187      239.687   74.6187      
1 1 1 21  9  9  o 10 11.2701      0.765869    241.549   146.266      505.139   146.266      143.022   146.266      
1 1 1 21  9  10 o 14 2.39358      0.356854    179.172   47.8054      133.516   -132.195     148.063   -132.195     
1 1 1 21  9  11 o 3  22.0447      1.15208     744.072   124.513      1487.56   124.513      407.643   124.513      
1 1 1 21  9  12 o 5  4.61313      0.547371    366.891   -154.762     326.366   -154.762     2.46221   25.2375      
1 1 1 21  9  13 o 1  0.526807     0.53197     327.997   19.1446      ?         ?            ?         ?            
1 1 1 21  9  14 o 18 5.85787      0.624618    597.496   132.878      577.669   132.878      14.6658   132.878      
1 1 1 21  9  15 o 14 6.8857       0.613147    373.797   4.92823      879.632   4.92823      271.562   4.92823      
1 1 1 21  9  16 o 18 1.31328      0.38053     141.103   -120.871     3.9023    59.1287      61.8485   59.1287      
1 1 1 21  9  17 o 2  6.88086      0.612935    870.465   -102.772     670.354   -102.772     12.6541   77.2278      
1 1 1 21  9  18 o 6  0.150361     0.42087     113.267   -57.2491     59.1288   122.751      73.4995   122.751      
1 1 1 21  9  19 o 12 0.897148     0.454907    160.52    -42.2596     45.4021   -42.2596     38.2814   137.74       
1 1 1 21  11 0  o 9  2.69614      0.330962    961.16    -77.0515     368.844   102.949      613.798   102.949      
1 1 1 21  11 1  o 9  6.47883      0.496068    1186.36   142.01       34.1399   -37.99       548.652   -37.99       
1 1 1 21  11 2  f 0  2.3705       0.455145    377.455   60.0675      122.075   -119.932     230.88    -119.932     
1 1 1 21  11 3  o 8  41.2711      1.52362     1907.2    -15.7531     1697.47   -15.7531     13.2572   164.247      
1 1 1 21  11 4  o 3  8.24834      0.790948    370.473   -116.815     70.5535   -116.815     132.746   63.1847      
1 1 1 21  11 5  o 6  4.38183      0.591669    556.947   26.9052      105.304   26.9052      200.276   -153.095     
1 1 1 21  11 6  o 1  3.22769      0.387098    330.2     179.316      5.79848   179.316      146.857   -0.683896    
1 1 1 21  11 7  o 16 16.7605      0.867251    1210.09   29.1456      957.936   29.1456      68.1575   -150.854     
1 1 1 21  11 8  o 17 1.12005      0.387831    546.728   -72.2592     310.908   107.741      402.105   107.741      
1 1 1 21  11 9  o 18 3.10362      0.461426    365.263   83.6158      26.0407   83.6158      152.114   -96.3842     
1 1 1 21  11 10 o 11 7.46908      0.705968    970.094   -20.7542     463.163   -20.7542     210.302   159.246      
1 1 1 21  11 11 o 11 1.06955      0.416079    280.951   -179.737     191.013   0.26282      224.397   0.26282      
1 1 1 21  11 12 o 4  5.42873      0.56665     870.946   -172.621     385.149   -172.621     203.991   7.37934      
1 1 1 21  11 13 o 5  5.99698      0.900684    444.459   -100.456     734.629   -100.456     172.126   -100.456     
1 1 1 21  11 14 o 4  0.252273     0.40275     221.635   -93.5047     136.507   86.4953      160.115   86.4953      
1 1 1 21  11 15 o 10 4.41419      0.528097    698.914   158.481      518.279   158.481      17.8972   -21.5186     
1 1 1 21  11 16 o 18 0.903028     0.409949    316.949   148.475      64.8047   -31.5253     154.848   -31.5253     
1 1 1 21  11 17 o 1  0.992751     0.44939     231.56    -141.003     123.771   -141.003     26.0715   38.9967      
1 1 1 21  13 0  f 0  14.1723      0.783984    1477.11   -161.038     531.555   -161.038     400.853   18.9625      
1 1 1 21  13 1  o 8  0.597053     0.326364    785.569   -141.919     596.791   38.081       653.084   38.081       
1 1 1 21  13 2  o 8  0.156574     0.291224    442.471   1.36306      ?         ?            ?         ?            
1 1 1 21  13 3  o 12 0.465562     0.354752    635.814   84.2411      ?         ?            ?         ?            
1 1 1 21  13 4  o 3  9.53926      0.756847    666.734   -37.8198     886.038   -37.8198     140.032   -37.8198     
1 1 1 21  13 5  o 19 9.45655      0.608525    476.237   70.4166      897.137   70.4165      231.168   70.4165      
1 1 1 21  13 6  o 3  8.08873      0.785349    386.188   133.191      855.345   133.191      250.635   133.191      
1 1 1 21  13 7  o 10 2.45989      0.59941     554.229   87.8269      114.655   87.8269      196.821   -92.1731     
1 1 1 21  13 8  o 2  1.12417      0.419045    120.997   -3.70082     2.07672   176.299      56.0069   176.299      
1 1 1 21  13 9  o 6  0.135258     0.406019    234.443   -49.3549     ?         ?            ?         ?            
1 1 1 21  13 10 o 10 3.03918      0.464473    468.289   106.782      204.341   106.782      97.1564   -73.218      
1 1 1 21  13 11 o 15 5.8055       0.609703    800.25    -42.2464     526.079   -42.2464     62.7722   137.754      
1 1 1 21  13 12 o 5  3.45936      0.460233    336.505   146.995      561.029   146.995      147.569   146.995      
1 1 1 21  13 13 o 14 1.915        0.45464     558.738   152.441      213.447   152.441      109.593   -27.5591     
1 1 1 21  13 14 o 9  1.65095      0.475852    81.8103   14.8354      179.047   14.8354      58.868    14.8354      
1 1 1 21  15 0  o 18 2.56279      0.522344    594.168   113.17       175.778   113.17       172.877   -66.8305     
1 1 1 21  15 1  o 18 2.23025      0.52186     449.425   86.7138      168.546   86.7138      111.776   -93.2862     
1 1 1 21  15 2  o 19 1.517        0.482274    184.116   22.2509      70.842    22.2509      44.0765   -157.749     
1 1 1 21  15 3  o 8  1.21238      0.436814    393.761   92.0249      36.4977   -87.9751     185.787   -87.9751     
1 1 1 21  15 4  o 2  1.95099      0.433928    182.017   -131.152     171.29    -131.152     9.63929   -131.152     
1 1 1 21  15 5  o 11 -0.0505268   0.357275    233.732   15.2124      138.253   -164.788     164.694   -164.788     
1 1 1 21  15 6  o 15 0.766407     0.414736    190.54    -109.641     16.1764   -109.641     68.2881   70.3589      
1 1 1 21  15 7  o 11 0.555406     0.38746     206.69    -94.5083     23.6816   85.4917      93.4532   85.4917      
1 1 1 21  15 8  o 7  0.176587     0.334715    216.325   -5.13577     114.869   174.864      141.854   174.864      
1 1 1 21  15 9  o 9  3.08964      0.571712    400.879   -17.7317     542.887   -17.7317     118.112   -17.7317     
1 1 1 21  15 10 o 15 0.31918      0.572511    350.439   66.1275      21.8474   -113.872     142.366   -113.872     
1 1 1 21  17 0  o 17 0.44993      0.470236    208.673   176.812      13.4571   176.812      71.5211   -3.1882      
1 1 1 21  17 1  o 11 0.573386     0.486354    192.359   -79.4219     25.0619   -79.4219     59.9132   100.578      
1 1 1 22  0  0  o 1  0.906147     0.442735    1009.11   -180         854.505   1.72986e-13  878.788   1.68012e-13  
1 1 1 22  0  1  o 10 25.6203      1.78477     1240.65   180          874.386   180          113.56    6.10439e-14  
1 1 1 22  0  2  o 8  2.26727      0.344166    758.313   0            ?         ?            ?         ?            
1 1 1 22  0  3  o 10 219.223      8.46284     3255.09   180          5299.47   180          1236.93   180          
1 1 1 22  0  4  o 6  5.42159      0.431904    158.725   180          43.9688   1.47541e-14  90.1958   3.59619e-15  
1 1 1 22  0  5  o 18 58.573       2.98575     1954      0            2262.41   0            297.53    0            
1 1 1 22  0  6  o 17 15.2771      1.01035     1156.2    0            890.361   0            45.1033   180          
1 1 1 22  0  7  o 1  28.5137      3.48515     586.096   0            2039.55   0            773.408   0            
1 1 1 22  0  8  o 7  0.781694     0.424179    380.078   0            261.431   180          288.194   180          
1 1 1 22  0  9  o 10 0.43972      0.280043    382.275   180          ?         ?            ?         ?            
1 1 1 22  0  10 o 15 15.1293      1.20845     1001.76   0            1280.41   0            238.305   0            
1 1 1 22  0  11 o 13 90.4395      4.23448     2563.16   180          3231.98   180          584.596   180          
1 1 1 22  0  12 o 6  35.3382      1.98053     1358.2    180          2181.72   180          529.658   180          
1 1 1 22  0  13 o 12 47.5997      2.40949     2291.8    0            1833.54   0            71.2521   180          
1 1 1 22  0  14 o 9  47.1981      3.04731     876.437   180          2955.8    180          1085.6    180          
1 1 1 22  0  15 o 13 1.28975      0.439456    243.874   180          144.638   3.72805e-15  183.062   1.47278e-15  
1 1 1 22  0  16 o 6  1.11474      0.474891    510.686   0            339.378   180          400.502   180          
1 1 1 22  0  17 o 18 16.3846      1.34965     1256.55   0            1089.81   0            23.2885   180          
1 1 1 22  0  18 o 5  1.21354      0.505041    30.3415   180          ?         ?            ?         ?            
1 1 1 22  0  19 o 17 4.29432      0.798835    353.239   0            ?         ?            ?         ?            
1 1 1 22  0  20 o 4  6.56432      1.49872     923.436   180          332.968   180          221.924   1.75444e-14  
1 1 1 22  0  21 o 16 1.83366      0.608506    122.24    180          45.9424   180          25.2979   1.97595e-14  
1 1 1 22  0  22 o 2  7.76561      0.892523    107.41    0            1145.13   0            531.99    0            
1 1 1 22  2  0  o 15 55.7728      1.67632     2169.61   -19.9418     1570.03   -19.9418     169.645   160.058      
1 1 1 22  2  1  o 9  137.225      3.31052     2820.99   152.805      3542.16   152.805      537.299   152.805      
1 1 1 22  2  2  o 17 49.1335      1.87796     1371.94   -136.633     1783.19   -136.633     296.341   -136.633     
1 1 1 22  2  3  o 9  66.8796      2.07822     1640.95   83.3735      2623.87   83.3735      605.687   83.3735      
1 1 1 22  2  4  f 0  33.3992      1.08053     2270.98   150.4        711.119   150.4        615.284   -29.6001     
1 1 1 22  2  5  o 19 120.57       3.5571      2259.45   -58.0309     3861.17   -58.0309     969.984   -58.0309     
1 1 1 22  2  6  o 5  19.3773      0.785398    972.066   47.0239      683.119   47.0239      69.036    -132.976     
1 1 1 22  2  7  o 8  0.41034      0.205175    1030.61   86.1741      ?         ?            ?         ?            
1 1 1 22  2  8  f 0  26.9727      1.27945     824.818   76.7875      1795.72   76.7875      558.615   76.7875      
1 1 1 22  2  9  o 10 33.9659      1.2649      1501.96   136.873      1809.82   136.873      297.771   136.873      
1 1 1 22  2  10 o 6  53.3108      1.83442     1830.23   -96.7893     2409.12   -96.7893     471.329   -96.7893     
1 1 1 22  2  11 o 13 1.40894      0.331625    443.259   -52.1556     217.802   127.844      288.287   127.844      
1 1 1 22  2  12 o 12 2.86976      0.406395    336.703   -117.242     95.5113   62.7582      188.46    62.7582      
1 1 1 22  2  13 o 19 5.63134      0.494687    435.916   -8.65502     209.116   171.345      294.659   171.345      
1 1 1 22  2  14 o 4  11.6033      0.632627    648.158   73.5737      293.263   73.5737      145.263   -106.426     
1 1 1 22  2  15 o 4  24.6803      1.78894     1014.33   -93.1963     1347.89   -93.1963     213.394   -93.1963     
1 1 1 22  2  16 o 12 17.1628      1.0125      1455.11   -168.668     753.665   -168.668     280.03    11.3322      
1 1 1 22  2  17 o 12 1.77673      0.398682    782.06    -143.117     ?         ?            ?         ?            
1 1 1 22  2  18 o 15 7.75976      0.766596    384.783   79.4114      773.195   79.4114      210.051   79.4114      
1 1 1 22  2  19 f 0  1.37768      0.424073    389.507   -117.834     ?         ?            ?         ?            
1 1 1 22  2  20 o 8  5.48901      0.591029    157.95    178.466      243.025   178.466      56.0727   178.466      
1 1 1 22  2  21 o 18 1.61892      0.443528    90.7067   45.4587      145.281   45.4587      37.0129   45.4587      
1 1 1 22  2  22 o 13 1.72985      0.448775    341.434   -177.627     16.1033   -177.627     119.947   2.37316      
1 1 1 22  4  0  o 4  147.962      3.43211     3321.18   136.304      3368.19   136.304      262.08    136.304      
1 1 1 22  4  1  o 9  50.4946      1.94886     1765.29   34.0625      1963.25   34.0625      227.309   34.0625      
1 1 1 22  4  2  o 16 44.65        1.83325     1778.16   -163.143     1797.45   -163.143     140.971   -163.143     
1 1 1 22  4  3  o 8  5.76666      0.409894    476.992   -86.9383     ?         ?            ?         ?            
1 1 1 22  4  4  o 6  32.6847      1.86349     1850.15   -133.549     1249.8    -133.549     157.369   46.4514      
1 1 1 22  4  5  o 12 35.5955      1.31921     992.351   15.742       1993.59   15.742       580.197   15.742       
1 1 1 22  4  6  o 4  13.778       0.742708    711.606   -144.195     808.802   -144.195     108.966   -144.195     
1 1 1 22  4  7  o 5  2.74455      0.300265    306.727   -179.548     ?         ?            ?         ?            
1 1 1 22  4  8  o 14 5.55943      0.427034    607.366   -17.7153     145.937   -17.7153     171.936   162.285      
1 1 1 22  4  9  o 18 1.95047      0.338975    656.501   -173.915     479.739   6.08491      502.876   6.08491      
1 1 1 22  4  10 o 5  34.7443      1.28901     1672.42   -99.0807     1663.03   -99.0807     154.948   -99.0807     
1 1 1 22  4  11 o 15 20.7339      1.38963     884.262   155.776      1019.16   155.776      141.417   155.776      
1 1 1 22  4  12 o 2  26.134       1.20092     1579.31   170.215      1107.86   170.215      130.297   -9.7846      
1 1 1 22  4  13 o 15 22.0284      1.04155     1244.95   34.1816      1195.11   34.1816      39.694    34.1816      
1 1 1 22  4  14 o 15 14.2621      0.855251    1088.02   -40.0924     582.879   -40.0924     202.605   139.908      
1 1 1 22  4  15 o 9  29.7771      1.16518     249.124   80.3024      1819.97   80.3024      797.33    80.3024      
1 1 1 22  4  16 o 13 3.76248      0.476339    304.266   165.359      179.369   165.359      47.7509   -14.641      
1 1 1 22  4  17 o 12 17.0678      1.22366     219.924   35.7101      1339.83   35.7101      569.346   35.7101      
1 1 1 22  4  18 o 7  7.34765      0.585765    234.309   64.8373      811.661   64.8373      299.058   64.8373      
1 1 1 22  4  19 o 3  0.584211     0.445715    116.542   -145.748     ?         ?            ?         ?            
1 1 1 22  4  20 o 12 13.4419      0.921061    675.002   29.0226      1309.75   29.0226      385.1     29.0226      
1 1 1 22  4  21 o 3  0.600535     0.379479    113.098   107.194      8.7039    -72.8059     47.9459   -72.8059     
1 1 1 22  6  0  o 5  11.2783      0.727174    1482.66   128.097      288.446   128.097      477.594   -51.9026     
1 1 1 22  6  1  o 3  2.37428      0.265852    438.807   -5.92218     328.489   174.078      347.795   174.078      
1 1 1 22  6  2  o 6  16.2569      0.82561     1163.6    36.7295      704.711   36.7295      132.161   -143.271     
1 1 1 22  6  3  o 2  58.8685      2.45673     2096.63   -135.063     2247.11   -135.063     256.454   -135.063     
1 1 1 22  6  4  o 14 11.9964      0.946966    1107.24   145.232      649.038   145.232      129.264   -34.768      
1 1 1 22  6  5  o 3  33.796       1.0864      1679.02   -69.2444     1710.38   -69.2444     174.165   -69.2444     
1 1 1 22  6  6  o 1  11.0383      0.647981    1155.19   -51.5727     612.293   -51.5727     158.194   128.427      
1 1 1 22  6  7  o 3  8.64817      0.500568    1758.97   146.809      37.7732   146.809      685.844   -33.1909     
1 1 1 22  6  8  o 17 51.6875      1.97872     1655.03   63.7595      2447.28   63.7595      555.498   63.7595      
1 1 1 22  6  9  o 2  40.1579      2.1873      917.851   -29.4097     2157.8    -29.4097     700.329   -29.4097     
1 1 1 22  6  10 o 9  1.53172      0.366998    585.24    -72.8441     ?         ?            ?         ?            
1 1 1 22  6  11 o 10 48.8359      2.19961     1932.82   -142.149     2019.16   -142.149     156.945   -142.149     
1 1 1 22  6  12 o 5  6.33436      0.510518    1015.86   73.2682      30.0946   73.2682      443.695   -106.732     
1 1 1 22  6  13 o 11 6.85111      0.569419    385.3     121.77       129.322   121.77       110.276   -58.2299     
1 1 1 22  6  14 o 4  69.6276      2.2326      1858.72   -42.147      2846.37   -42.147      583.701   -42.147      
1 1 1 22  6  15 o 14 3.12417      0.660856    336.772   -24.0413     192.157   155.959      248.366   155.959      
1 1 1 22  6  16 o 10 1.30114      0.396027    429.735   127.662      218.088   -52.3378     305.743   -52.3378     
1 1 1 22  6  17 o 5  0.847093     0.354317    352.97    32.1075      182.433   -147.893     251.956   -147.893     
1 1 1 22  6  18 o 14 1.04789      0.495018    252.569   -178.909     ?         ?            ?         ?            
1 1 1 22  6  19 o 16 3.99445      0.528059    575.438   -22.7613     535.061   -22.7613     36.669    -22.7613     
1 1 1 22  6  20 o 8  5.86223      0.563259    291.918   -19.3472     928.538   -19.3472     351.127   -19.3472     
1 1 1 22  8  0  o 2  65.445       2.6965      2189.21   -149.57      2367.36   -149.57      304.945   -149.57      
1 1 1 22  8  1  o 15 3.02219      0.461834    170.695   -1.87875     4.19584   178.121      70.5401   178.121      
1 1 1 22  8  2  o 5  25.3079      1.33871     1474.26   -7.93637     1268.01   -7.93637     43.3748   -7.93637     
1 1 1 22  8  3  o 10 10.6518      0.687659    944.237   175.955      669.604   175.955      43.7591   -4.04522     
1 1 1 22  8  4  o 7  10.5923      0.891821    879.534   91.6213      590.951   91.6213      58.601    -88.3787     
1 1 1 22  8  5  o 17 15.2551      0.74428     1336.52   31.6799      774.565   31.6799      155.952   -148.32      
1 1 1 22  8  6  o 18 33.9997      1.61622     1966.53   -67.3184     1321.56   -67.3184     151.917   112.682      
1 1 1 22  8  7  o 1  8.51351      0.760066    337.495   -27.0274     298.597   -27.0274     6.51482   -27.0274     
1 1 1 22  8  8  o 2  54.3462      1.87917     1973.55   52.3537      2207.64   52.3537      245.871   52.3537      
1 1 1 22  8  9  o 8  12.499       0.734179    539.775   -26.6608     748.767   -26.6608     133.835   -26.6608     
1 1 1 22  8  10 o 13 14.6967      0.817446    559.168   145.673      1032.37   145.673      263.094   145.673      
1 1 1 22  8  11 o 16 3.88069      0.508446    410.307   124.028      8.61532   124.028      181.97    -55.9718     
1 1 1 22  8  12 o 10 12.7386      0.908876    1009.65   -36.4025     636.364   -36.4025     138.072   143.597      
1 1 1 22  8  13 o 6  3.40755      0.473813    640.797   129.934      187.076   -50.0659     382.863   -50.0659     
1 1 1 22  8  14 f 0  3.50844      0.530329    258.34    -177.985     102.789   -177.985     66.3652   2.01523      
1 1 1 22  8  15 o 12 -0.356858    0.228356    148.678   66.4242      ?         ?            ?         ?            
1 1 1 22  8  16 o 10 1.12735      0.379565    477.775   39.0626      132.413   -140.937     279.291   -140.937     
1 1 1 22  8  17 o 5  4.95683      0.588445    282.748   -70.8618     669.504   -70.8618     216.833   -70.8618     
1 1 1 22  8  18 o 3  4.32119      0.494199    497.977   -94.2408     576.932   -94.2408     91.5625   -94.2408     
1 1 1 22  8  19 o 10 1.17568      0.503417    150.01    -127.231     126.06    -127.231     5.73598   -127.231     
1 1 1 22  10 0  o 8  6.24901      0.679128    831.89    128.813      127.458   128.813      290.01    -51.187      
1 1 1 22  10 1  o 8  1.7636       0.360497    780.544   103.443      387.31    -76.5568     527.355   -76.5568     
1 1 1 22  10 2  o 19 7.56941      0.726455    1447.6    115.571      91.1495   -64.429      669.713   -64.429      
1 1 1 22  10 3  o 18 14.3958      0.919015    1243.62   -170.234     640.718   -170.234     221.815   9.7656       
1 1 1 22  10 4  o 2  5.61048      0.932752    677.634   -135.81      72.9039   -135.81      262.753   44.1901      
1 1 1 22  10 5  o 14 9.81712      0.56966     1098.92   -160.018     318.577   -160.018     332.059   19.9821      
1 1 1 22  10 6  o 12 3.57114      0.638375    941.624   47.6338      272.466   -132.366     561.478   -132.366     
1 1 1 22  10 7  o 13 5.52177      0.479801    694.19    41.1949      215.911   41.1949      207.161   -138.805     
1 1 1 22  10 8  o 10 3.24396      0.384189    692.3     139.471      53.6712   -40.5287     340.949   -40.5287     
1 1 1 22  10 9  o 18 11.0598      0.726404    1010.2    53.1834      449.241   53.1834      231.993   -126.817     
1 1 1 22  10 10 o 10 21.2963      0.87737     1447.44   84.6138      1129.64   84.6138      88.2121   -95.3862     
1 1 1 22  10 11 o 13 19.1749      1.42831     826.539   -65.7373     1448.94   -65.7373     349.672   -65.7373     
1 1 1 22  10 12 o 19 2.68227      0.727835    450.318   81.7033      93.2887   81.7033      159.532   -98.2967     
1 1 1 22  10 13 o 4  13.3371      0.847085    819.934   102.491      1047.7    102.491      148.792   102.491      
1 1 1 22  10 14 o 1  2.48281      0.489663    361.609   -52.3418     4.5399    -52.3418     157.967   127.658      
1 1 1 22  10 15 o 6  8.94183      0.709691    478.915   -36.4587     1109.07   -36.4587     354.84    -36.4587     
1 1 1 22  10 16 o 7  0.573097     0.387223    138.571   90.4334      ?         ?            ?         ?            
1 1 1 22  10 17 o 7  6.28231      0.742706    818.312   109.094      554.5     109.094      38.4873   -70.9056     
1 1 1 22  12 0  o 13 15.921       0.762101    654.119   -7.30808     1116.84   -7.30808     261.68    -7.30808     
1 1 1 22  12 1  o 12 0.939995     0.350129    117.27    88.391       94.3382   -91.609      100.336   -91.609      
1 1 1 22  12 2  o 11 7.38372      0.683176    498.016   151.831      501.635   151.831      25.2735   151.831      
1 1 1 22  12 3  o 19 11.3262      0.66637     372.239   -177.547     745.413   -177.547     204.384   -177.547     
1 1 1 22  12 4  o 13 5.69673      0.569117    997.739   -127.697     69.2798   -127.697     415.804   52.3033      
1 1 1 22  12 5  o 7  1.31762      0.448811    177.145   16.0986      69.8778   -163.901     114.854   -163.901     
1 1 1 22  12 6  o 15 4.38547      0.527758    816.388   -57.0372     180.394   -57.0372     278.635   122.963      
1 1 1 22  12 7  f 0  1.61903      0.427289    731.518   -141.815     235.96    38.1849      450.013   38.1849      
1 1 1 22  12 8  o 16 12.1801      0.753613    700.119   26.1287      1086.34   26.1287      223.199   26.1287      
1 1 1 22  12 9  o 19 1.63799      0.406952    603.147   174.825      115.833   -5.17499     334.683   -5.17499     
1 1 1 22  12 10 o 19 1.35426      0.528827    230.361   -157.09      1.19125   -157.09      104.235   22.9103      
1 1 1 22  12 11 o 10 6.69931      0.604604    606.617   87.878       743.671   87.878       103.936   87.878       
1 1 1 22  12 12 o 15 0.541028     0.407474    186.057   -2.90382     110.586   177.096      133.494   177.096      
1 1 1 22  12 13 o 17 1.23137      0.446697    189.812   -70.086      51.4693   -70.086      50.3903   109.914      
1 1 1 22  12 14 o 1  1.01993      0.42396     123.094   -178.637     77.6392   -178.637     9.33733   1.36285      
1 1 1 22  12 15 o 11 1.17772      0.585396    165.059   -5.95125     167.146   -5.95125     21.1976   -5.95125     
1 1 1 22  14 0  o 12 4.99597      0.522177    346.288   125.868      484.585   125.868      83.4044   125.868      
1 1 1 22  14 1  o 3  1.37757      0.381544    321.861   156          23.6956   -24.0003     159.539   -24.0003     
1 1 1 22  14 2  o 11 3.6908       0.6122      372.096   65.896       347.001   65.896       2.86      65.896       
1 1 1 22  14 3  o 6  12.7486      0.80383     720.808   -85.3284     1154.07   -85.3284     247.287   -85.3284     
1 1 1 22  14 4  o 18 2.32454      0.463591    459.73    -81.6178     137.466   -81.6178     140.274   98.3822      
1 1 1 22  14 5  o 15 1.21808      0.467699    196.098   -175.318     7.84557   4.68194      91.9707   4.68194      
1 1 1 22  14 6  f 0  -0.360627    0.145021    212.358   112.412      ?         ?            ?         ?            
1 1 1 22  14 7  o 19 1.82997      0.467056    261.572   48.6611      210.314   48.6611      6.46384   -131.339     
1 1 1 22  14 8  o 6  2.12895      0.623143    431.19    -56.2206     263.838   -56.2206     45.8418   123.779      
1 1 1 22  14 9  o 15 0.553296     0.45785     172.583   -77.3126     21.4421   102.687      79.7719   102.687      
1 1 1 22  14 10 o 11 1.74086      0.528305    540.68    -111.958     120.74    -111.958     151.995   68.0423      
1 1 1 22  14 11 o 5  0.128661     0.478264    23.7533   -72.1791     4.34859   107.821      11.3251   107.821      
1 1 1 22  14 12 o 11 0.650012     0.449898    391.004   11.2906      43.7884   -168.709     168.43    -168.709     
1 1 1 22  16 0  o 14 0.639127     0.509423    316.702   -74.9992     28.8539   105.001      139.618   105.001      
1 1 1 22  16 1  o 4  0.821829     0.526169    207.277   176.116      36.9531   176.116      63.251    -3.88401     
1 1 1 22  16 2  o 15 0.327922     0.385626    206.218   51.2431      72.3066   -128.757     117.166   -128.757     
1 1 1 22  16 3  o 17 0.440631     0.378589    482.946   -92.9463     177.96    87.0537      277.789   87.0537      
1 1 1 22  16 4  o 6  1.81383      0.434547    477.685   133.965      254.136   133.965      58.3093   -46.0347     
1 1 1 22  16 5  o 14 0.0355628    0.370736    432.032   129.349      ?         ?            ?         ?            
1 1 1 22  16 6  o 2  0.228559     0.395386    279.1     33.6519      61.5826   -146.348     135.772   -146.348     
1 1 1 22  16 7  o 15 0.714376     0.444155    321.302   -8.38384     46.9757   -8.38384     98.7434   171.616      
1 1 1 23  1  0  o 19 60.2839      2.05338     2141.87   145.327      1732.12   145.327      78.9263   -34.6726     
1 1 1 23  1  1  o 13 35.9622      1.29399     1280.76   -6.46995     756.962   -6.46995     182.88    173.53       
1 1 1 23  1  2  o 8  162.406      4.31415     2663.31   10.5303      3604.15   10.5303      644.741   10.5303      
1 1 1 23  1  3  o 15 54.9315      1.87193     2021.32   -86.7242     1270.51   -86.7242     235.536   93.2758      
1 1 1 23  1  4  o 16 59.7211      1.95331     1801.89   -38.2869     2155.11   -38.2869     306.832   -38.2869     
1 1 1 23  1  5  o 9  18.0383      0.807426    731.628   118.832      899.686   118.832      138.68    118.832      
1 1 1 23  1  6  o 8  9.76414      0.773352    183.815   50.8338      ?         ?            ?         ?            
1 1 1 23  1  7  o 17 51.856       1.82402     1136.53   -77.7285     2559.03   -77.7285     804.296   -77.7285     
1 1 1 23  1  8  o 7  50.209       1.86221     2021.5    -4.71341     2028.41   -4.71341     182.37    -4.71341     
1 1 1 23  1  9  o 6  24.3679      1.29863     1504.53   31.2939      1078.18   31.2939      69.2593   -148.706     
1 1 1 23  1  10 o 5  6.74336      0.498325    834.26    130.912      67.8386   -49.0885     368.147   -49.0885     
1 1 1 23  1  11 o 1  18.0728      1.01338     1508.79   173.81       636.647   173.81       292.187   -6.19015     
1 1 1 23  1  12 o 18 159.9        4.81369     3114.09   -57.8674     4322.55   -57.8674     860.063   -57.8674     
1 1 1 23  1  13 o 15 14.909       0.999137    793.947   -51.7119     901.622   -51.7119     104.555   -51.7119     
1 1 1 23  1  14 o 5  42.9292      1.72785     1691.24   114.334      1929.09   114.334      202.828   114.334      
1 1 1 23  1  15 o 3  24.2591      1.05157     659.958   114.272      1673.63   114.272      537.174   114.272      
1 1 1 23  1  16 o 18 15.8302      0.918031    1284.32   -46.5772     780.944   -46.5772     189.266   133.423      
1 1 1 23  1  17 o 13 13.8148      0.874697    755.18    38.2768      1158.94   38.2768      237.131   38.2768      
1 1 1 23  1  18 o 14 1.59632      0.376269    511.827   52.7027      ?         ?            ?         ?            
1 1 1 23  1  19 o 17 8.23499      0.906382    554.515   104.292      ?         ?            ?         ?            
1 1 1 23  1  20 o 19 7.52878      0.615794    532.103   5.12718      883.46    5.12718      221.61    5.12718      
1 1 1 23  1  21 o 3  1.37093      0.433596    184.995   -143.901     120.384   36.0994      132.811   36.0994      
1 1 1 23  1  22 o 11 0.834933     0.445723    107.81    -65.6889     29.4      114.311      55.101    114.311      
1 1 1 23  3  0  o 10 12.9825      0.717835    1262.2    53.55        94.4431   53.55        497.159   -126.45      
1 1 1 23  3  1  o 7  7.09526      1.34229     726.577   133.617      240.431   -46.3832     432.577   -46.3832     
1 1 1 23  3  2  o 5  57.4389      2.09925     2099.78   2.42046      1922.94   2.42046      62.3961   2.42046      
1 1 1 23  3  3  o 6  186.571      4.59767     3762.15   21.8081      4110.11   21.8081      450.833   21.8081      
1 1 1 23  3  4  o 17 60.2723      2.2766      1261.15   -76.2029     2646.18   -76.2029     787.628   -76.2029     
1 1 1 23  3  5  o 1  52.8769      2.58643     1202.52   146.332      2037.11   146.332      510.934   146.332      
1 1 1 23  3  6  o 19 5.72797      0.517276    727.612   -44.9443     434.604   135.056      521.586   135.056      
1 1 1 23  3  7  o 4  33.8838      1.27487     1417.63   -5.84732     1372.23   -5.84732     101.528   -5.84732     
1 1 1 23  3  8  o 7  66.6986      2.3519      1564.69   173.698      3111.3    173.698      920.866   173.698      
1 1 1 23  3  9  o 14 13.1563      0.826614    722.736   -155.695     898.928   -155.695     159.612   -155.695     
1 1 1 23  3  10 o 11 4.84486      0.47643     865.464   -113.115     15.4798   -113.115     340.37    66.8848      
1 1 1 23  3  11 o 15 35.5009      1.44049     1573.52   -59.2237     1806.25   -59.2237     255.282   -59.2237     
1 1 1 23  3  12 o 16 13.7743      0.831673    551.005   -153.145     690.415   -153.145     109.333   -153.145     
1 1 1 23  3  13 o 15 23.0835      1.1604      185.995   -108.338     775.356   -108.338     304.957   -108.338     
1 1 1 23  3  14 o 16 4.88873      0.467029    881.424   141.264      156.233   -38.7358     477.882   -38.7358     
1 1 1 23  3  15 o 16 21.7483      1.06002     723.492   95.6698      1107.17   95.6698      225.908   95.6698      
1 1 1 23  3  16 o 11 7.03368      0.739007    326.348   102.034      162.029   102.034      66.2454   -77.9659     
1 1 1 23  3  17 o 16 13.2893      0.968824    973.959   131.504      921.011   131.504      16.3353   131.504      
1 1 1 23  3  18 o 10 9.12457      0.673482    496.935   -148.235     990.558   -148.235     267.884   -148.235     
1 1 1 23  3  19 o 4  6.50773      0.624244    323.436   -72.8544     749.706   -72.8544     233.887   -72.8544     
1 1 1 23  3  20 o 19 4.05126      0.695542    257.164   30.0789      593.105   30.0789      192.861   30.0789      
1 1 1 23  3  21 o 6  4.69378      0.564275    90.6819   18.1925      543.826   18.1925      236.713   18.1925      
1 1 1 23  5  0  o 8  23.7694      0.76353     1561.33   -35.6172     961.887   -35.6172     180.535   144.383      
1 1 1 23  5  1  o 1  38.0569      1.60407     1371.92   131.81       1756.64   131.81       298.113   131.81       
1 1 1 23  5  2  o 2  4.74369      0.608439    652.108   -58.1004     362.775   121.9        456.313   121.9        
1 1 1 23  5  3  o 8  38.2438      2.12917     1300.21   38.7362      1873.13   38.7362      391.185   38.7362      
1 1 1 23  5  4  o 10 26.118       1.14668     1130.31   -88.3906     1606.29   -88.3906     332.707   -88.3906     
1 1 1 23  5  5  o 5  5.07878      0.570337    1001.72   -168.751     809.617   11.2485      817.239   11.2485      
1 1 1 23  5  6  o 5  17.4951      0.816691    1319.75   -112.345     985.831   -112.345     43.5909   67.6552      
1 1 1 23  5  7  o 11 3.04062      0.356915    139.431   -101.273     38.4253   78.7272      75.2731   78.7272      
1 1 1 23  5  8  o 13 12.6349      0.66796     1008.32   -149.981     742.678   -149.981     32.7186   30.019       
1 1 1 23  5  9  o 4  38.4121      1.94907     1085.06   -55.9346     2047.51   -55.9346     584.336   -55.9346     
1 1 1 23  5  10 o 11 14.8286      1.54147     1406.33   -152.015     486.788   -152.015     341.505   27.9849      
1 1 1 23  5  11 o 17 25.9499      1.00554     1517.77   75.2772      1178.33   75.2772      65.7884   -104.723     
1 1 1 23  5  12 o 6  35.3051      1.54037     1546.49   -19.7089     1662.47   -19.7089     141.18    -19.7089     
1 1 1 23  5  13 o 16 23.6468      1.03712     843.977   160.073      1544.72   160.073      389.478   160.073      
1 1 1 23  5  14 o 17 7.09732      0.628108    419.176   96.6772      413.392   96.6772      16.8127   96.6772      
1 1 1 23  5  15 o 5  29.612       1.15105     1019.49   15.3988      1936.54   15.3988      508.326   15.3988      
1 1 1 23  5  16 o 8  1.45413      0.495216    367.523   -122.651     ?         ?            ?         ?            
1 1 1 23  5  17 f 0  6.46369      0.702424    676.2     148.76       556.924   148.76       31.646    -31.2402     
1 1 1 23  5  18 o 17 4.58657      0.559455    377.038   33.1531      589.865   33.1531      127.97    33.1531      
1 1 1 23  5  19 o 14 3.62787      0.483313    244.669   140.864      ?         ?            ?         ?            
1 1 1 23  5  20 o 1  1.14597      0.385213    112.254   -29.5331     37.2501   150.467      62.6216   150.467      
1 1 1 23  5  21 o 1  1.48951      0.567594    217.08    -77.3919     255.409   -77.3919     46.3622   -77.3919     
1 1 1 23  7  0  o 4  11.3467      0.86413     1002.52   112.067      663.236   112.067      77.7992   -67.9332     
1 1 1 23  7  1  o 9  0.760416     0.206956    155.873   -18.1973     ?         ?            ?         ?            
1 1 1 23  7  2  f 0  9.77888      0.848987    1044.57   -64.1607     526.958   -64.1607     159.753   115.839      
1 1 1 23  7  3  o 2  44.7871      1.67665     1314.67   104.106      2439.98   104.106      690.188   104.106      
1 1 1 23  7  4  o 13 18.5333      0.91693     1158.68   -97.7775     1181.81   -97.7775     126.083   -97.7775     
1 1 1 23  7  5  o 4  13.2885      0.834546    1717.54   -158.188     477.755   -158.188     449.328   21.8122      
1 1 1 23  7  6  o 9  34.8477      1.59253     1883.53   64.1996      1405.71   64.1996      55.9394   -115.8       
1 1 1 23  7  7  o 2  19.3949      0.930667    1167.28   -29.4725     1167.59   -29.4725     106.557   -29.4725     
1 1 1 23  7  8  o 3  35.8694      1.74124     1464.34   -86.4549     1836.59   -86.4549     304.679   -86.4549     
1 1 1 23  7  9  o 16 11.7362      0.737197    1146.23   47.4708      597.959   47.4708      196.345   -132.529     
1 1 1 23  7  10 o 13 2.67177      0.49926     186.517   -66.2826     86.2722   113.717      126.093   113.717      
1 1 1 23  7  11 o 4  12.8433      0.711545    874.703   37.5789      811.683   37.5789      9.89135   37.5789      
1 1 1 23  7  12 o 17 21.3998      0.963955    968.018   118.069      1375.35   118.069      248.317   118.069      
1 1 1 23  7  13 o 7  13.3027      0.774046    749.977   -93.4116     945.576   -93.4116     134.129   -93.4116     
1 1 1 23  7  14 o 16 15.0298      1.11889     649.851   168.015      1222.16   168.015      317.266   168.015      
1 1 1 23  7  15 o 16 2.27345      0.437917    571.449   60.7539      401.882   -119.246     462.289   -119.246     
1 1 1 23  7  16 o 1  2.00449      0.475985    133.684   27.103       44.4843   -152.897     83.3037   -152.897     
1 1 1 23  7  17 o 13 1.0937       0.391454    155.584   111.575      51.3051   -68.4249     93.5235   -68.4249     
1 1 1 23  7  18 f 0  -0.230792    0.317298    82.5221   -121.507     64.3067   58.4926      65.6512   58.4926      
1 1 1 23  7  19 o 14 1.15749      0.485392    274.881   -144.34      87.831    -144.34      63.5037   35.6601      
1 1 1 23  7  20 o 18 2.50411      0.52391     302.872   -173.194     304.903   -173.194     38.9236   -173.194     
1 1 1 23  9  0  o 14 1.69166      0.475706    549.676   62.1247      248.131   -117.875     347.478   -117.875     
1 1 1 23  9  1  o 6  58.4562      2.14        2418.12   -104.264     2128.47   -104.264     77.6154   -104.264     
1 1 1 23  9  2  o 7  9.00458      0.715536    504.334   67.3281      479.348   67.3281      32.5015   67.3281      
1 1 1 23  9  3  o 8  29.9168      1.41071     1183.35   45.896       1760.31   45.896       388.953   45.896       
1 1 1 23  9  4  o 9  18.4699      0.819802    1636.22   -119.789     774.288   -119.789     301.991   60.2106      
1 1 1 23  9  5  o 5  21.6453      1.21521     1351.98   172.164      1059.41   172.164      50.2226   -7.83554     
1 1 1 23  9  6  o 12 20.9669      1.1215      1313.38   134.957      1130.85   134.957      9.46603   -45.043      
1 1 1 23  9  7  o 1  15.3382      0.91424     1246.55   161.894      674.333   161.894      218.856   -18.1058     
1 1 1 23  9  8  o 8  28.5226      1.15308     658.127   -89.7503     1833.07   -89.7503     619.06    -89.7503     
1 1 1 23  9  9  o 19 3.89673      0.528098    565.116   89.9486      18.9306   -90.0514     266.102   -90.0514     
1 1 1 23  9  10 o 6  12.4292      0.918178    460.108   66.9298      971.794   66.9298      277.521   66.9298      
1 1 1 23  9  11 o 6  4.32806      0.525391    167.081   -33.1492     148.872   -33.1492     0.946546  146.851      
1 1 1 23  9  12 o 14 6.68994      0.65497     858.686   44.8723      425.392   44.8723      175.995   -135.128     
1 1 1 23  9  13 o 13 5.28883      0.640341    589.881   -117.949     321.818   -117.949     108.889   62.0506      
1 1 1 23  9  14 o 12 1.90091      0.471891    200.301   -38.5716     49.314    -38.5716     67.0103   141.428      
1 1 1 23  9  15 o 15 3.67029      0.481753    425.753   177.316      344.28    177.316      16.1949   -2.68391     
1 1 1 23  9  16 o 9  1.50985      0.418089    171.121   132.673      91.2226   132.673      25.3061   -47.3274     
1 1 1 23  9  17 o 17 1.76417      0.457758    35.0558   -57.2959     25.5066   -57.2959     1.09341   122.704      
1 1 1 23  9  18 o 13 0.244376     0.4545      654.479   88.0698      335.665   -91.9302     417.992   -91.9302     
1 1 1 23  11 0  o 4  6.77292      0.587203    511.145   -12.4779     249.979   -12.4779     105.009   167.522      
1 1 1 23  11 1  o 16 20.9815      0.907622    979.927   -2.73853     1187.34   -2.73853     151.709   -2.73853     
1 1 1 23  11 2  o 3  18.983       1.06728     1441.72   -164.043     914.678   -164.043     194.803   15.9565      
1 1 1 23  11 3  o 5  10.7457      0.604615    893.772   -166.051     576.928   -166.051     116.885   13.9491      
1 1 1 23  11 4  o 6  0.449634     0.303829    560.329   -101.719     ?         ?            ?         ?            
1 1 1 23  11 5  o 14 4.40684      0.654632    633.041   -33.7014     310.76    146.299      442.651   146.299      
1 1 1 23  11 6  o 16 5.79151      0.578638    848.007   -135.065     257.667   -135.065     255.01    44.935       
1 1 1 23  11 7  o 12 12.1674      0.85963     590.207   -175.394     1050.99   -175.394     259.082   -175.394     
1 1 1 23  11 8  o 14 8.45883      0.636767    517.348   -92.1137     685.556   -92.1137     109.277   -92.1137     
1 1 1 23  11 9  o 7  2.04382      0.473556    412.353   153.833      17.0895   153.833      178.489   -26.1673     
1 1 1 23  11 10 o 14 7.46258      0.736377    694.464   154.742      511.565   154.742      61.8538   -25.258      
1 1 1 23  11 11 o 1  4.81713      0.807575    734.94    64.2435      247.282   64.2435      213.359   -115.757     
1 1 1 23  11 12 o 11 1.63424      0.479529    320.011   -133.527     85.694    46.4727      186.921   46.4727      
1 1 1 23  11 13 o 16 1.5851       0.558487    173.979   112.352      96.9356   112.352      26.284    -67.6483     
1 1 1 23  11 14 o 17 2.67808      0.472067    599.458   63.5836      251.287   63.5836      117.79    -116.416     
1 1 1 23  11 15 o 5  2.60576      0.483512    286.134   -23.281      433.356   -23.281      104.252   -23.281      
1 1 1 23  11 16 o 1  1.31229      0.541425    270.224   26.0727      189.375   26.0727      8.08282   -153.927     
1 1 1 23  13 0  f 0  2.75155      0.393242    396.613   13.0894      66.9907   13.0894      145.764   -166.911     
1 1 1 23  13 1  o 10 2.324        0.397649    355.294   73.7862      74.3999   -106.214     197.928   -106.214     
1 1 1 23  13 2  o 5  2.97978      0.422883    747.401   -162.499     128.25    17.5013      402.816   17.5013      
1 1 1 23  13 3  f 0  4.31521      0.622797    271.483   -162.959     299.749   -162.959     26.507    -162.959     
1 1 1 23  13 4  o 1  8.67579      0.739564    555.888   100.032      866.625   100.032      179.737   100.032      
1 1 1 23  13 5  o 1  1.73851      0.414202    207.059   9.13683      7.88089   -170.863     98.7749   -170.863     
1 1 1 23  13 6  f 0  1.46693      0.479752    265.753   -131.086     74.0607   48.9137      158.974   48.9137      
1 1 1 23  13 7  o 8  1.26212      0.432209    317.273   -69.8347     180.03    110.165      234.924   110.165      
1 1 1 23  13 8  o 11 1.54484      0.469721    255.693   115.032      7.50607   115.032      111.092   -64.9683     
1 1 1 23  13 9  o 11 1.06925      0.56858     302.585   -158.88      68.8763   21.1196      166.035   21.1196      
1 1 1 23  13 10 o 12 1.40605      0.432142    158.112   -173.142     84.7415   -173.142     23.4904   6.85781      
1 1 1 23  13 11 o 1  2.59816      0.536159    465.134   -147.257     283.483   -147.257     44.6583   32.7427      
1 1 1 23  13 12 o 2  0.976417     0.424945    340.242   140.293      83.5174   140.293      91.638    -39.7066     
1 1 1 23  13 13 o 10 1.48283      0.467698    458.258   -15.6825     181.247   -15.6825     84.3241   164.318      
1 1 1 23  15 0  o 11 1.95787      0.589628    448.159   -72.769      150.63    -72.769      118.19    107.231      
1 1 1 23  15 1  o 13 2.259        0.584023    336.193   -166.339     251.628   -166.339     18.3342   13.6613      
1 1 1 23  15 2  o 15 3.29368      0.467853    639.549   -140.343     330.303   -140.343     106.017   39.6573      
1 1 1 23  15 3  o 15 1.10334      0.447263    277.612   -154.488     34.7635   -154.488     98.5591   25.5116      
1 1 1 23  15 4  o 6  0.745486     0.391534    209.072   70.5243      77.8498   -109.476     124.688   -109.476     
1 1 1 23  15 5  f 0  1.20391      0.41268     514.767   -122.344     35.1101   -122.344     189.779   57.656       
1 1 1 23  15 6  o 14 0.739769     0.434385    228.996   -61.1663     19.1897   -61.1663     81.232    118.834      
1 1 1 23  15 7  o 10 0.388342     0.486624    109.991   170.689      62.4711   -9.31115     74.3689   -9.31115     
1 1 1 23  15 8  o 16 0.532384     0.396035    412.305   157.293      88.7357   -22.7068     203.823   -22.7068     
1 1 1 23  15 9  o 10 2.78143      0.489039    67.9942   175.891      317.747   175.891      133.245   175.891      
1 1 1 24  0  0  o 9  13.3379      1.42899     1095.63   180          40.1205   -180         460.877   -1.49232e-13 
1 1 1 24  0  1  o 13 21.5017      1.32034     807.182   180          681.88    180          11.2301   4.33065e-13  
1 1 1 24  0  2  o 18 18.7416      3.47496     685.148   180          ?         ?            ?         ?            
1 1 1 24  0  3  o 14 7.03237      0.875135    1326.72   0            ?         ?            ?         ?            
1 1 1 24  0  4  o 5  109.376      5.53899     1916.92   180          4147.86   180          1255.41   180          
1 1 1 24  0  5  o 16 148.059      6.51421     2896.3    180          4173.37   180          856.629   180          
1 1 1 24  0  6  o 13 36.7058      3.1894      1021.92   180          2439.87   180          788.932   180          
1 1 1 24  0  7  o 2  80.8638      3.63054     1774.47   180          3512.27   180          1016.29   180          
1 1 1 24  0  8  o 7  13.252       1.3083      613.051   0            1120.33   0            308.756   0            
1 1 1 24  0  9  o 1  62.9463      2.74087     1414.59   0            3219.69   0            1039.32   0            
1 1 1 24  0  10 o 14 3.01427      0.501854    657.079   180          201.614   1.13082e-14  364.075   3.13107e-15  
1 1 1 24  0  11 o 5  30.651       2.47857     1664.4    0            1723.28   0            185.696   0            
1 1 1 24  0  12 o 6  112.668      4.69524     2845.31   180          3415.64   180          511.592   180          
1 1 1 24  0  13 o 16 103.388      4.68511     566.753   180          5069.95   180          2286.39   180          
1 1 1 24  0  14 o 1  150.894      6.15336     3201.36   0            3942.7    0            525.784   0            
1 1 1 24  0  15 o 10 2.91736      0.708903    560.796   0            151.312   180          330.155   180          
1 1 1 24  0  16 o 1  0.187702     0.510111    2.13609   180          1.8369    3.46652e-16  1.88227   1.69148e-16  
1 1 1 24  0  17 o 1  13.8415      0.959795    838.031   180          1282.55   180          260.747   180          
1 1 1 24  0  18 o 2  5.79894      0.795613    625.147   180          507.809   180          32.9349   1.15204e-13  
1 1 1 24  0  19 o 10 13.9969      1.1314      447.777   0            1453.87   0            528.094   0            
1 1 1 24  0  20 o 17 0.972829     0.552454    226.723   0            137.992   180          161.961   180          
1 1 1 24  0  21 o 18 8.42422      0.903523    688.095   0            979.05    0            220.281   0            
1 1 1 24  0  22 o 19 1.67676      0.631666    191.027   180          304.369   180          80.445    180          
1 1 1 24  2  0  o 18 11.8451      0.643052    538.351   -88.2006     57.0828   -88.2006     204.984   91.7994      
1 1 1 24  2  1  o 15 41.6153      1.31406     1622.85   71.214       1189.13   71.214       106.387   -108.786     
1 1 1 24  2  2  o 1  111.312      2.50439     2434.89   177.847      3394.94   177.847      651.301   177.847      
1 1 1 24  2  3  o 4  122.085      3.87201     3227.42   -10.3968     3085.61   -10.3968     163.249   -10.3968     
1 1 1 24  2  4  o 1  52.5357      2.07188     1480.02   163.368      2323.78   163.368      532.223   163.368      
1 1 1 24  2  5  o 4  215.289      5.83219     3939.43   -109.127     4542.52   -109.127     604.26    -109.127     
1 1 1 24  2  6  o 14 57.1186      2.192       1330.9    82.6558      2836.27   82.6558      859.682   82.6558      
1 1 1 24  2  7  o 2  16.5744      0.966022    627.282   -161.195     1221.24   -161.195     350.894   -161.195     
1 1 1 24  2  8  o 10 3.90008      0.434344    1272.92   107.603      744.45    -72.3971     890.503   -72.3971     
1 1 1 24  2  9  o 12 25.885       1.03992     1368.12   -121.887     1411.22   -121.887     156.139   -121.887     
1 1 1 24  2  10 o 19 25.2441      1.11865     1196.48   39.9554      1504.43   39.9554      271.887   39.9554      
1 1 1 24  2  11 o 3  56.4628      2.02547     1954.86   -94.6425     2325.33   -94.6425     361.8     -94.6425     
1 1 1 24  2  12 o 10 10.9088      0.71508     223.454   167.681      270.869   167.681      40.34     167.681      
1 1 1 24  2  13 o 6  41.4502      1.68293     1251.29   -53.8471     2214.42   -53.8471     552.971   -53.8471     
1 1 1 24  2  14 o 2  26.064       1.10035     654.63    -99.176      1679.44   -99.176      543.116   -99.176      
1 1 1 24  2  15 f 0  4.83569      0.894147    536.359   154.733      132.721   154.733      176.728   -25.2666     
1 1 1 24  2  16 o 7  6.38763      0.526583    936.574   98.4032      ?         ?            ?         ?            
1 1 1 24  2  17 o 2  4.81917      0.571098    496.377   -1.27942     5.09366   -1.27942     223.535   178.721      
1 1 1 24  2  18 o 12 2.07511      0.556923    279.649   39.1993      97.054    39.1993      79.5917   -140.801     
1 1 1 24  2  19 o 17 1.38354      0.422304    303.538   81.2419      4.38622   81.2419      130.829   -98.7581     
1 1 1 24  2  20 o 18 3.39274      0.531785    475.008   -171.338     ?         ?            ?         ?            
1 1 1 24  2  21 o 1  1.32302      0.555341    266.66    -34.6987     47.6382   145.301      127.576   145.301      
1 1 1 24  4  0  o 5  8.20025      0.558285    1142.11   123.741      23.5649   -56.2595     498.449   -56.2595     
1 1 1 24  4  1  o 10 16.7983      0.769596    1863.92   178.961      128.715   -1.03888     857.296   -1.03888     
1 1 1 24  4  2  o 12 39.0862      1.4534      2147.14   89.1843      1238.29   89.1843      292       -90.8157     
1 1 1 24  4  3  f 0  23.6981      1.39042     2055.11   -121.657     677.586   -121.657     530.043   58.3429      
1 1 1 24  4  4  o 3  13.351       0.581569    1120.87   162.984      670.865   162.984      135.645   -17.0156     
1 1 1 24  4  5  o 16 18.9007      0.891313    638.017   -5.51136     1082.76   -5.51136     275.691   -5.51136     
1 1 1 24  4  6  o 9  6.89945      0.470959    375.958   3.28793      226.004   3.28793      41.5642   -176.712     
1 1 1 24  4  7  o 18 4.3963       0.39147     601.899   134.227      465.563   -45.7727     476.723   -45.7727     
1 1 1 24  4  8  o 18 33.2387      1.50073     2047.77   100.655      1206.04   100.655      218.401   -79.345      
1 1 1 24  4  9  o 17 32.3453      1.37074     1328.88   144.532      1765.46   144.532      348.936   144.532      
1 1 1 24  4  10 o 2  4.23867      0.537227    977.275   103.186      65.5401   -76.8137     432.816   -76.8137     
1 1 1 24  4  11 o 5  7.69654      0.607497    721.289   52.417       139.573   -127.583     375.448   -127.583     
1 1 1 24  4  12 o 10 18.904       1.06916     1186.93   38.0851      1033.79   38.0851      5.80413   -141.915     
1 1 1 24  4  13 o 16 47.2341      1.66244     1382.24   169.678      2185.88   169.678      468.454   169.678      
1 1 1 24  4  14 o 2  2.37231      0.41737     493.811   -114.489     ?         ?            ?         ?            
1 1 1 24  4  15 o 18 2.79184      0.41715     660.304   27.3924      102.497   -152.608     349.262   -152.608     
1 1 1 24  4  16 o 11 29.5583      1.59685     1129.22   -9.88423     1698.67   -9.88423     337.528   -9.88423     
1 1 1 24  4  17 o 10 6.32583      0.601596    268.676   10.6573      624.093   10.6573      188.795   10.6573      
1 1 1 24  4  18 o 16 0.769565     0.392876    76.7081   -165.059     40.0959   14.9405      54.5558   14.9405      
1 1 1 24  4  19 o 7  2.11703      0.627033    304.201   -7.72689     240.804   -7.72689     6.96571   172.273      
1 1 1 24  4  20 o 17 23.767       1.1969      847.591   -150.376     1952.2    -150.376     641.532   -150.376     
1 1 1 24  4  21 o 12 0.93277      0.389716    192.817   -94.4164     3.53065   -94.4164     71.2042   85.5836      
1 1 1 24  6  0  o 3  23.5435      1.17711     1336.45   -92.0554     1210.63   -92.0554     48.9051   -92.0554     
1 1 1 24  6  1  o 4  2.67301      0.297441    446.872   -172.807     ?         ?            ?         ?            
1 1 1 24  6  2  o 6  69.878       3.06734     2555.68   153.433      2428.27   153.433      159.199   153.433      
1 1 1 24  6  3  o 12 13.9614      0.9566      302.59    -67.9039     625.445   -67.9039     188.736   -67.9039     
1 1 1 24  6  4  o 6  11.6542      0.76957     656.274   -1.80648     866.742   -1.80648     166.826   -1.80648     
1 1 1 24  6  5  o 5  13.8106      0.801711    1642.57   84.3663      337.476   84.3663      492.709   -95.6337     
1 1 1 24  6  6  o 16 6.64666      0.414488    654.618   89.5338      397.736   89.5338      63.4308   -90.4662     
1 1 1 24  6  7  o 3  3.83651      0.517455    778.64    -116.421     186.653   63.5786      406.258   63.5786      
1 1 1 24  6  8  o 12 50.3974      2.21939     1876.21   -120.035     2174.03   -120.035     321.686   -120.035     
1 1 1 24  6  9  o 7  3.69433      0.598968    206.649   -147.087     113.905   32.9131      143.569   32.9131      
1 1 1 24  6  10 o 15 14.2757      0.695121    688.999   34.1502      919.502   34.1502      160.98    34.1502      
1 1 1 24  6  11 o 17 20.2136      1.03201     1053.06   -54.3364     1235.83   -54.3364     147.428   -54.3364     
1 1 1 24  6  12 o 17 15.516       0.858349    1259      98.3161      215.569   98.3161      463.301   -81.6839     
1 1 1 24  6  13 o 7  2.20394      0.389898    598.266   85.1363      362.143   -94.8637     452.217   -94.8637     
1 1 1 24  6  14 o 10 3.50069      0.483252    169.123   -63.2337     67.2795   -63.2337     42.6571   116.766      
1 1 1 24  6  15 o 17 27.7566      1.5597      1121.59   -155.935     1569.15   -155.935     275.363   -155.935     
1 1 1 24  6  16 o 2  4.94457      0.530686    371.091   33.6778      522.849   33.6778      91.1506   33.6778      
1 1 1 24  6  17 o 13 1.09869      0.385238    297.665   -64.1445     ?         ?            ?         ?            
1 1 1 24  6  18 o 3  1.80679      0.489396    424.517   -35.8166     181.316   -35.8166     87.5662   144.183      
1 1 1 24  6  19 o 4  0.689838     0.405775    191.152   -172.628     18.4739   7.37158      84.889    7.37158      
1 1 1 24  6  20 o 6  1.42227      0.48053     142.521   159.826      ?         ?            ?         ?            
1 1 1 24  8  0  o 15 32.1612      1.57309     1111.24   22.9268      1831.9    22.9268      470.762   22.9268      
1 1 1 24  8  1  o 16 14.9398      1.19658     882.938   -155.377     1081.41   -155.377     186.941   -155.377     
1 1 1 24  8  2  o 10 48.8747      2.5543      2221.75   166.769      1977.89   166.769      97.6947   166.769      
1 1 1 24  8  3  o 11 7.46632      0.641909    295.813   45.3844      281.2     45.3844      21.4984   45.3844      
1 1 1 24  8  4  o 19 1.52775      0.373679    127.685   -104.427     79.2398   75.573       91.4345   75.573       
1 1 1 24  8  5  o 16 20.9728      0.826307    1057.77   -88.916      1306.4    -88.916      218.073   -88.916      
1 1 1 24  8  6  o 11 28.6606      1.5741      1143.43   163.544      1546.71   163.544      293.522   163.544      
1 1 1 24  8  7  o 11 4.83223      0.563377    822.376   -124.211     422.721   55.7889      565.108   55.7889      
1 1 1 24  8  8  o 2  26.447       1.23031     1891.2    176.38       949.031   176.38       359.841   -3.61979     
1 1 1 24  8  9  o 7  3.60813      0.493364    512.252   96.3094      64.5238   -83.6906     262.747   -83.6906     
1 1 1 24  8  10 o 6  41.6639      1.5188      1187.79   38.7608      2218.26   38.7608      569.923   38.7608      
1 1 1 24  8  11 o 17 0.301001     0.301125    270.597   -142.278     226.941   37.7222      236.102   37.7222      
1 1 1 24  8  12 o 8  18.7513      0.937296    934.132   -88.0318     1073.43   -88.0318     115.228   -88.0318     
1 1 1 24  8  13 o 8  10.9084      0.903765    875.059   95.4069      782.788   95.4069      4.82417   -84.5931     
1 1 1 24  8  14 o 11 2.82171      0.45772     711.136   -166.123     180.461   13.8765      415.809   13.8765      
1 1 1 24  8  15 o 7  8.68426      0.79098     427.301   -39.3274     840.759   -39.3274     225.372   -39.3274     
1 1 1 24  8  16 o 17 1.02645      0.403554    137.364   -32.4317     107.071   147.568      113.515   147.568      
1 1 1 24  8  17 o 18 2.99797      0.515016    161.234   173.767      340.489   173.767      104.541   173.767      
1 1 1 24  8  18 o 3  2.44683      0.449383    58.9779   146.621      183.355   146.621      68.5639   146.621      
1 1 1 24  8  19 o 6  2.56163      0.717839    306.944   134.439      474.863   134.439      122.18    134.439      
1 1 1 24  10 0  o 18 6.25267      0.567903    603.184   175.201      162.351   175.201      178.96    -4.79863     
1 1 1 24  10 1  o 15 4.99135      0.66038     811.316   -53.0793     112.279   126.921      407.964   126.921      
1 1 1 24  10 2  o 11 4.84439      0.487968    957.179   -68.8102     ?         ?            ?         ?            
1 1 1 24  10 3  o 18 -0.0367587   0.180981    1035.03   96.8942      ?         ?            ?         ?            
1 1 1 24  10 4  o 1  6.97106      0.605084    1121.37   74.6344      52.3459   -105.366     526.795   -105.366     
1 1 1 24  10 5  o 18 6.42044      0.624003    658.177   -70.6987     371.477   109.301      482.38    109.301      
1 1 1 24  10 6  o 18 3.47166      0.514983    115.894   -112.338     24.738    67.6617      64.9233   67.6617      
1 1 1 24  10 7  o 19 22.2034      1.18514     1121.47   -137.512     1385.86   -137.512     183.697   -137.512     
1 1 1 24  10 8  o 10 26.1787      1.26202     1182.14   -152.346     1541.85   -152.346     235.641   -152.346     
1 1 1 24  10 9  o 1  11.6367      0.760634    1384.82   -63.5585     502.178   -63.5585     373.853   116.441      
1 1 1 24  10 10 o 18 1.26569      0.418312    458.139   -111.932     284.025   68.0677      349.013   68.0677      
1 1 1 24  10 11 o 12 14.708       1.09004     1174.19   14.3892      860.2     14.3892      104.706   -165.611     
1 1 1 24  10 12 o 10 0.511701     0.394579    289.605   -139.714     188.204   40.2862      226.986   40.2862      
1 1 1 24  10 13 o 6  12.6201      0.771627    633.145   -91.9916     1241.26   -91.9916     333.46    -91.9916     
1 1 1 24  10 14 o 6  3.83439      0.587629    190.747   8.50264      438.015   8.50264      136.3     8.50264      
1 1 1 24  10 15 o 9  2.32378      0.476833    140.125   36.7202      199.28    36.7202      42.5059   36.7202      
1 1 1 24  10 16 o 7  1.50288      0.42912     469.613   -105.884     142.588   74.1158      255.857   74.1158      
1 1 1 24  10 17 o 19 2.61257      0.671602    390.75    -56.1538     441.021   -56.1538     72.2722   -56.1538     
1 1 1 24  12 0  o 15 1.45458      0.319831    331.812   46.1382      147.044   -133.862     223.79    -133.862     
1 1 1 24  12 1  o 13 1.92073      0.352336    477.322   -133.052     279.033   46.9478      355.517   46.9478      
1 1 1 24  12 2  o 11 11.1058      0.800268    965.177   9.99025      719.615   9.99025      76.4659   -170.01      
1 1 1 24  12 3  o 13 2.93721      0.431445    505.79    93.7944      69.0556   -86.2056     262.868   -86.2056     
1 1 1 24  12 4  o 8  3.74598      0.533904    599.404   108.613      27.6809   -71.3873     284.249   -71.3873     
1 1 1 24  12 5  o 11 2.99638      0.474407    664.888   -132.687     53.3406   -132.687     273.531   47.3132      
1 1 1 24  12 6  o 7  8.75545      0.643948    60.3622   104.152      215.209   104.152      80.2569   104.152      
1 1 1 24  12 7  o 13 1.17299      0.399036    583.59    67.0428      220.362   -112.957     376.178   -112.957     
1 1 1 24  12 8  o 4  4.0386       0.58848     531.332   -121.269     358       -121.269     64.5967   58.7313      
1 1 1 24  12 9  o 17 4.88062      0.612133    290.233   39.0552      558.461   39.0552      146.329   39.0552      
1 1 1 24  12 10 o 13 1.81799      0.726914    145.136   -33.8337     82.4124   -33.8337     24.0825   146.166      
1 1 1 24  12 11 o 1  1.29954      0.441667    216.506   -148.42      38.4896   -148.42      74.3813   31.58        
1 1 1 24  12 12 o 19 1.70028      0.434678    497.323   -8.82417     12.5825   171.176      210.714   171.176      
1 1 1 24  12 13 o 7  0.523283     0.39145     144.666   100.756      25.0466   -79.2441     69.8274   -79.2441     
1 1 1 24  12 14 f 0  3.74128      0.546533    406.085   -120.899     625.847   -120.899     155.569   -120.899     
1 1 1 24  12 15 o 4  1.94536      0.624019    366.757   87.8683      322.334   87.8683      23.66     87.8683      
1 1 1 24  14 0  o 2  1.83471      0.4018      509.588   -87.8038     6.27347   -87.8038     230.549   92.1962      
1 1 1 24  14 1  o 9  1.1679       0.402708    228.912   -178.688     66.9619   1.31236      138.353   1.31236      
1 1 1 24  14 2  o 10 0.976372     0.583385    616.45    -84.4099     279.862   95.5901      421.649   95.5901      
1 1 1 24  14 3  o 6  8.42975      0.717273    482.388   99.8191      962.486   99.8191      261.973   99.8191      
1 1 1 24  14 4  o 10 3.30834      0.51136     802.257   -148.26      157.757   -148.26      282.073   31.7403      
1 1 1 24  14 5  o 7  1.12174      0.421482    294.723   143.077      14.5372   143.077      123.069   -36.9229     
1 1 1 24  14 6  o 4  0.647589     0.47233     180.222   95.4094      124.719   -84.5906     140.069   -84.5906     
1 1 1 24  14 7  f 0  2.82953      0.435427    219.89    -85.7063     366.059   -85.7063     91.1621   -85.7063     
1 1 1 24  14 8  o 3  1.23185      0.448026    163.105   127.329      89.59     127.329      21.2408   -52.6707     
1 1 1 24  14 9  o 8  2.33813      0.551326    363.569   39.5133      373.394   39.5133      42.8122   39.5133      
1 1 1 24  14 10 o 12 1.15486      0.475219    345.556   86.8543      111.471   86.8543      78.9712   -93.1457     
1 1 1 24  14 11 o 15 2.09659      0.568935    333.088   154.485      361.267   154.485      54.2742   154.485      
1 1 1 24  16 0  o 19 0.331554     0.350812    122.42    -30.8014     31.6144   149.199      63.8945   149.199      
1 1 1 24  16 1  o 19 0.664767     0.588085    102.747   111.128      13.9213   111.128      33.305    -68.8721     
1 1 1 24  16 2  o 3  -0.0958079   0.3558      145.644   -26.8417     85.3954   153.158      99.5584   153.158      
1 1 1 24  16 3  o 17 0.642627     0.398502    232.946   173.666      31.4931   173.666      74.6366   -6.3343      
1 1 1 24  16 4  o 4  0.946593     0.4075      136.188   -9.2063      93.5308   -9.2063      5.51147   170.794      
1 1 1 24  16 5  o 15 1.66997      0.43929     371.792   -29.5616     278.306   -29.5616     1.26888   150.438      
1 1 1 24  16 6  o 2  0.806455     0.522362    99.6239   138.637      62.8462   138.637      5.99292   -41.3635     
1 1 1 25  1  0  o 15 173.736      4.50925     3335.04   26.5104      3790.24   26.5104      446.573   26.5104      
1 1 1 25  1  1  o 13 146.606      4.01248     2363.23   13.267       4332.21   13.267       1144.37   13.267       
1 1 1 25  1  2  o 16 5.84813      0.620904    609.759   -90.6054     ?         ?            ?         ?            
1 1 1 25  1  3  o 3  138.084      3.72591     2847.95   165.846      3640.39   165.846      602.387   165.846      
1 1 1 25  1  4  o 16 90.2021      2.66974     1652.98   0.791779     3459.18   0.791779     1026.17   0.791779     
1 1 1 25  1  5  o 10 10.1286      0.675402    156.805   132.281      151.314   132.281      9.28881   132.281      
1 1 1 25  1  6  o 8  2.33935      0.46969     426.342   -28.7156     167.254   151.284      262.565   151.284      
1 1 1 25  1  7  o 15 34.9584      1.75508     1334.93   -168.907     1226.85   -168.907     60.5823   -168.907     
1 1 1 25  1  8  o 19 2.57491      0.342138    169.462   -101.912     ?         ?            ?         ?            
1 1 1 25  1  9  o 9  62.5199      2.3549      1968.29   149.522      2566.04   149.522      492.503   149.522      
1 1 1 25  1  10 f 0  9.07857      0.665476    788.186   -55.3747     437.137   -55.3747     97.8625   124.625      
1 1 1 25  1  11 o 12 2.96136      0.416006    768.612   -148.351     ?         ?            ?         ?            
1 1 1 25  1  12 o 1  3.70643      0.458144    730.049   122.534      166.587   -57.4661     394.137   -57.4661     
1 1 1 25  1  13 o 6  60.1484      1.96043     1319.14   147.962      2899.67   147.962      865.247   147.962      
1 1 1 25  1  14 o 14 2.30301      0.461953    196.443   122.748      145.072   -57.2517     161.557   -57.2517     
1 1 1 25  1  15 o 17 3.33199      0.428812    593.913   -105.371     60.0245   74.629       299.151   74.629       
1 1 1 25  1  16 f 0  6.37894      0.561076    431.317   115.222      484.645   115.222      47.7288   115.222      
1 1 1 25  1  17 o 13 7.12631      0.667153    610.275   -162.469     445.163   -162.469     55.4747   17.5307      
1 1 1 25  1  18 o 2  3.92313      0.496197    331.355   -13.7328     307.013   -13.7328     1.75102   -13.7328     
1 1 1 25  1  19 o 2  6.38065      0.581791    430.476   -105.032     768.67    -105.032     196.058   -105.032     
1 1 1 25  1  20 o 17 0.0834128    0.399547    156.036   -8.56624     ?         ?            ?         ?            
1 1 1 25  1  21 o 3  2.84474      0.506207    301.028   118.409      496.932   118.409      131.466   118.409      
1 1 1 25  3  0  o 11 117.063      3.42681     4001.91   -46.3137     2110.69   -46.3137     657.795   133.686      
1 1 1 25  3  1  o 12 12.0506      0.774805    219.867   -41.7307     83.09     138.269      135.463   138.269      
1 1 1 25  3  2  o 9  49.998       1.79755     1249.7    141.99       2100.27   141.99       517.815   141.99       
1 1 1 25  3  3  o 7  140.335      4.55329     3164.5    172.502      3648.49   172.502      480.951   172.502      
1 1 1 25  3  4  o 8  11.3357      0.982843    575.224   74.8939      180.606   -105.106     333.302   -105.106     
1 1 1 25  3  5  o 9  110.819      3.6835      2630.74   88.003       3408.86   88.003       601.605   88.003       
1 1 1 25  3  6  o 6  130.702      3.93283     2616.89   -161.631     4035.41   -161.631     933.543   -161.631     
1 1 1 25  3  7  o 9  18.7504      0.958244    770.233   -20.1104     1256.8    -20.1104     314.071   -20.1104     
1 1 1 25  3  8  o 17 25.3715      1.20036     1705.66   -45.8829     1145.92   -45.8829     113.585   134.117      
1 1 1 25  3  9  o 10 56.7181      1.84871     2236.99   9.1978       2170.26   9.1978       188.694   9.1978       
1 1 1 25  3  10 o 6  32.9356      1.44905     1567.21   134.083      1716.13   134.083      221.934   134.083      
1 1 1 25  3  11 o 6  52.7295      1.83328     1782.74   80.6366      2357.39   80.6366      432.035   80.6366      
1 1 1 25  3  12 o 7  55.4581      2.22066     2301.9    -98.7895     1807.13   -98.7895     99.9547   81.2105      
1 1 1 25  3  13 o 1  26.1286      1.17124     1222.67   33.5409      1399.45   33.5409      149.845   33.5409      
1 1 1 25  3  14 o 3  3.94152      0.41084     194.482   144.703      ?         ?            ?         ?            
1 1 1 25  3  15 o 19 1.25449      0.402525    469.064   85.2381      345.39    -94.7619     384.605   -94.7619     
1 1 1 25  3  16 o 12 12.9665      0.801081    831.902   -63.6063     959.298   -63.6063     103.403   -63.6063     
1 1 1 25  3  17 o 11 10.4476      0.882175    603.006   -31.1815     828.829   -31.1815     138.168   -31.1815     
1 1 1 25  3  18 o 8  3.92415      0.538166    424.882   102.763      396.872   102.763      5.84802   102.763      
1 1 1 25  3  19 o 16 4.65778      0.514981    361.934   -111.951     595.162   -111.951     144.01    -111.951     
1 1 1 25  3  20 o 15 8.91983      0.70541     308.669   83.2548      1159.06   83.2548      457.034   83.2548      
1 1 1 25  3  21 o 11 0.978963     0.454213    47.5448   31.8044      ?         ?            ?         ?            
1 1 1 25  5  0  o 14 7.26626      0.662405    779.922   -59.6263     208.85    -59.6263     224.315   120.374      
1 1 1 25  5  1  f 0  14.8552      1.03868     605.73    65.746       864.333   65.746       177.465   65.746       
1 1 1 25  5  2  f 0  1.37964      0.317071    513.999   110.463      424.236   -69.5373     427.344   -69.5373     
1 1 1 25  5  3  o 6  28.8263      1.01816     1287.08   84.8339      1603.53   84.8339      266.311   84.8339      
1 1 1 25  5  4  o 1  6.46621      0.435267    423.658   89.7271      271.299   89.7271      38.9997   -90.2729     
1 1 1 25  5  5  o 17 26.7761      1.09299     932.646   109.903      1809.12   109.903      524.367   109.903      
1 1 1 25  5  6  o 14 2.14023      0.288217    203.056   123.687      ?         ?            ?         ?            
1 1 1 25  5  7  o 1  23.7731      1.26623     986.144   -36.7358     1600.07   -36.7358     404.901   -36.7358     
1 1 1 25  5  8  o 16 1.01038      0.322886    308.488   -79.673      ?         ?            ?         ?            
1 1 1 25  5  9  o 17 32.3145      1.83301     1370.41   125.74       1679.54   125.74       277.848   125.74       
1 1 1 25  5  10 o 9  9.98831      0.65148     855.142   -147.674     501.954   -147.674     111.094   32.3265      
1 1 1 25  5  11 o 10 53.236       2.05974     1525.32   -72.0672     2496.88   -72.0672     578.891   -72.0672     
1 1 1 25  5  12 o 2  42.3859      1.64299     1564.34   -123.283     2026.29   -123.283     308.184   -123.283     
1 1 1 25  5  13 o 13 11.0696      0.739091    634.205   -32.4197     229.622   -32.4197     173.191   147.58       
1 1 1 25  5  14 o 8  86.7759      3.04449     1740.67   122.583      3187.1    122.583      807.015   122.583      
1 1 1 25  5  15 o 14 14.2342      0.936123    1217.99   -172.021     621.985   -172.021     239.444   7.97896      
1 1 1 25  5  16 o 13 2.32686      0.528811    188.671   74.6198      139.821   -105.38      156.209   -105.38      
1 1 1 25  5  17 o 12 0.887679     0.404008    363.053   17.8318      ?         ?            ?         ?            
1 1 1 25  5  18 o 12 -0.0693497   0.355348    181.696   -138.554     ?         ?            ?         ?            
1 1 1 25  5  19 o 8  2.69729      0.46832     183.469   60.2086      351.023   60.2086      101.793   60.2086      
1 1 1 25  5  20 o 5  2.0148       0.471513    396.319   -44.2737     257.555   -44.2737     24.9537   135.726      
1 1 1 25  7  0  o 18 4.71069      0.410548    472.349   43.5872      145.57    43.5872      118.545   -136.413     
1 1 1 25  7  1  o 12 4.99108      0.630623    580.167   35.1856      24.2097   -144.814     246.448   -144.814     
1 1 1 25  7  2  o 17 9.82124      0.555189    829.819   -49.8314     535.026   -49.8314     66.4468   130.169      
1 1 1 25  7  3  o 16 3.3506       0.287175    1280.2    -116.199     318.552   63.8009      672.768   63.8009      
1 1 1 25  7  4  o 16 14.4204      0.854032    996.992   83.8643      977.06    83.8643      89.0942   83.8643      
1 1 1 25  7  5  f 0  12.0884      0.757913    837.65    120.648      830.064   120.648      78.2111   120.648      
1 1 1 25  7  6  o 18 6.14825      0.423822    664.76    164.047      228.698   -15.9529     384.64    -15.9529     
1 1 1 25  7  7  o 17 19.3427      1.04074     796.03    144.708      1308.64   144.708      324.088   144.708      
1 1 1 25  7  8  o 17 9.10808      0.97873     311.121   48.9407      289.38    48.9407      12.0124   48.9407      
1 1 1 25  7  9  o 2  37.2451      1.80728     822.895   140.834      2229.07   140.834      753.078   140.834      
1 1 1 25  7  10 o 5  19.8583      0.845621    805.502   -82.1764     966.762   -82.1764     121.284   -82.1764     
1 1 1 25  7  11 o 2  3.15912      0.463578    299.87    162.543      16.3536   -17.4569     144.319   -17.4569     
1 1 1 25  7  12 o 6  2.92298      0.435841    709.269   -93.0367     ?         ?            ?         ?            
1 1 1 25  7  13 o 17 31.7568      1.46439     796.38    12.059       2113.88   12.059       697.673   12.059       
1 1 1 25  7  14 o 5  7.73538      0.846531    654.171   43.6739      497.626   43.6739      48.1367   -136.326     
1 1 1 25  7  15 o 3  4.55463      0.513947    534.118   -173.839     226.797   -173.839     131.629   6.16072      
1 1 1 25  7  16 o 15 0.887654     0.405447    380.044   -173.53      240.864   6.47003      292.134   6.47003      
1 1 1 25  7  17 o 9  3.84431      0.501739    211.075   -14.8827     486.212   -14.8827     153.379   -14.8827     
1 1 1 25  7  18 o 13 1.71986      0.525997    269.728   78.4898      195.581   78.4898      9.7804    -101.51      
1 1 1 25  7  19 o 2  2.45571      0.511981    454.577   -57.2183     323.393   -57.2183     13.8772   122.782      
1 1 1 25  9  0  o 3  8.69097      0.825962    474.291   85.9278      383.564   85.9278      3.13797   -94.0722     
1 1 1 25  9  1  o 4  33.447       1.21042     2170.29   86.305       1096.32   86.305       348.279   -93.695      
1 1 1 25  9  2  o 3  7.55748      0.566486    371.979   -93.1951     221.054   -93.1951     44.4006   86.8049      
1 1 1 25  9  3  o 3  10.7325      0.745012    1704.17   -98.7661     7.96764   81.2339      722.29    81.2339      
1 1 1 25  9  4  o 4  12.5394      0.935181    791.518   163.289      713.706   163.289      18.0307   163.289      
1 1 1 25  9  5  o 15 4.68241      0.551967    579.861   -54.467      19.9176   125.533      262.664   125.533      
1 1 1 25  9  6  o 3  13.0389      0.977743    1341      -50.4758     288.23    -50.4758     450.897   129.524      
1 1 1 25  9  7  o 3  8.13751      0.623657    1046.64   146.086      172.241   146.086      385.089   -33.9143     
1 1 1 25  9  8  o 12 5.09122      0.564733    626.715   -36.2315     131.47    -36.2315     218.624   143.768      
1 1 1 25  9  9  o 19 4.90115      0.667894    1102.79   -110.968     361.979   69.0315      681.38    69.0315      
1 1 1 25  9  10 o 6  9.58616      0.667837    1010.87   -151.829     547.407   -151.829     183.043   28.1714      
1 1 1 25  9  11 o 11 13.9747      0.78715     1027.99   132.015      910.242   132.015      8.83415   -47.9847     
1 1 1 25  9  12 o 5  4.65005      0.792214    720.829   22.8847      188.524   22.8847      233.431   -157.115     
1 1 1 25  9  13 o 10 1.86026      0.524562    295.835   -113.044     0.592873  -113.044     135.415   66.9564      
1 1 1 25  9  14 o 2  3.70003      0.532799    497.941   -144.02      412.108   -144.02      19.8947   35.9798      
1 1 1 25  9  15 o 14 1.32111      0.410005    49.8779   110.267      ?         ?            ?         ?            
1 1 1 25  9  16 o 8  3.25956      0.497612    513.312   30.0626      383.526   30.0626      16.2743   -149.937     
1 1 1 25  9  17 o 8  2.26715      0.450652    322.248   54.9948      305.549   54.9948      26.6095   54.9948      
1 1 1 25  9  18 o 7  -0.197614    0.46606     311.189   -51.8292     ?         ?            ?         ?            
1 1 1 25  11 0  f 0  3.28665      0.55242     590.012   -136.019     98.2242   43.9812      316.038   43.9812      
1 1 1 25  11 1  o 11 1.6496       0.358967    433.284   35.6537      ?         ?            ?         ?            
1 1 1 25  11 2  o 18 9.88623      0.790094    415.145   -69.609      523.693   -69.609      73.4727   -69.609      
1 1 1 25  11 3  o 6  27.4074      1.12934     1068.8    4.83352      1686.91   4.83352      358.08    4.83352      
1 1 1 25  11 4  o 11 2.46251      0.439803    571.388   -88.7125     163.717   91.2875      341.198   91.2875      
1 1 1 25  11 5  o 17 3.29701      0.443668    503.262   127.527      ?         ?            ?         ?            
1 1 1 25  11 6  o 19 1.87863      0.378184    763.878   87.7094      300.909   -92.2906     495.504   -92.2906     
1 1 1 25  11 7  o 11 8.66922      0.717607    969.088   -61.3727     556.258   -61.3727     159.058   118.627      
1 1 1 25  11 8  o 2  7.62489      0.653444    541.157   59.8555      680.078   59.8555      95.2512   59.8555      
1 1 1 25  11 9  o 15 0.0223462    0.292757    343.272   -38.2792     290.384   141.721      301.586   141.721      
1 1 1 25  11 10 o 6  4.06533      0.564199    389.778   -31.5325     321.932   -31.5325     17.8271   148.468      
1 1 1 25  11 11 o 14 3.79183      0.489087    444.481   154.037      427.318   154.037      10.8882   154.037      
1 1 1 25  11 12 o 8  1.10579      0.406958    176.467   -26.7633     ?         ?            ?         ?            
1 1 1 25  11 13 o 2  0.847745     0.498149    232.048   23.5202      109.629   -156.48      152.089   -156.48      
1 1 1 25  11 14 o 10 0.657782     0.416769    119.579   35.1434      21.4999   -144.857     58.4987   -144.857     
1 1 1 25  11 15 o 7  6.56346      0.602903    502.688   -91.6801     927.369   -91.6801     267.865   -91.6801     
1 1 1 25  11 16 o 16 -0.979013    0.292808    609.84    -99.1994     ?         ?            ?         ?            
1 1 1 25  13 0  o 4  1.38414      0.400048    300.359   111.816      83.4118   -68.184      177.832   -68.184      
1 1 1 25  13 1  o 17 12.8123      0.71772     1005.45   -10.1227     888.424   -10.1227     12.0803   169.877      
1 1 1 25  13 2  o 9  12.8437      0.770927    1147.27   85.6034      800.667   85.6034      121.482   -94.3966     
1 1 1 25  13 3  o 2  0.91198      0.433451    230.96    -164.451     105.867   15.5495      158.309   15.5495      
1 1 1 25  13 4  o 14 5.64783      0.5398      755.142   -70.5906     459.501   -70.5906     115.979   109.409      
1 1 1 25  13 5  o 8  4.11676      0.50676     612.442   141.269      160.56    141.269      200.738   -38.7309     
1 1 1 25  13 6  o 4  0.331707     0.359291    383.541   -7.9643      ?         ?            ?         ?            
1 1 1 25  13 7  o 5  2.00725      0.481185    694.355   -146.926     42.4282   33.0741      335.548   33.0741      
1 1 1 25  13 8  o 15 0.256287     0.418545    544.296   -16.4799     ?         ?            ?         ?            
1 1 1 25  13 9  o 10 1.7393       0.516862    309.378   -16.09       167.176   -16.09       47.9641   163.91       
1 1 1 25  13 10 o 3  3.33861      0.489693    692.748   67.499       330.561   67.499       117.263   -112.501     
1 1 1 25  13 11 o 4  0.996412     0.432494    238.006   70.6007      66.2845   70.6007      61.0893   -109.399     
1 1 1 25  13 12 o 6  0.544688     0.358649    72.4201   -4.05079     6.41442   -4.05079     24.9413   175.949      
1 1 1 25  13 13 o 2  1.36157      0.452892    243.071   163.865      186.663   163.865      2.01324   163.865      
1 1 1 25  15 0  o 1  2.19856      0.510881    265.694   35.4469      245.889   35.4469      10.3697   35.4469      
1 1 1 25  15 1  o 3  3.49434      0.571894    298.553   -28.1933     445.983   -28.1933     97.4435   -28.1933     
1 1 1 25  15 2  o 11 3.55114      0.537047    743.314   62.5688      316.276   62.5688      150.916   -117.431     
1 1 1 25  15 3  o 10 0.430237     0.407828    412.618   110.097      180.918   -69.9034     259.573   -69.9034     
1 1 1 25  15 4  o 8  0.44692      0.382042    564.699   -7.27761     226.101   172.722      340.914   172.722      
1 1 1 25  15 5  o 7  -0.412846    0.13703     208.952   -138.889     ?         ?            ?         ?            
1 1 1 25  15 6  o 1  0.547631     0.392582    46.7876   138.772      14.5644   -41.2278     25.6885   -41.2278     
1 1 1 25  15 7  o 4  -0.31341     0.143579    468.503   104.318      357.775   -75.6816     361.206   -75.6816     
1 1 1 25  15 8  o 16 0.820168     0.373828    343.239   -25.1995     45.6733   -25.1995     108.068   154.801      
1 1 1 25  15 9  o 10 1.60078      0.462802    107.157   84.6991      227.401   84.6991      73.49     84.6991      
1 1 1 26  0  0  o 16 36.4936      1.82271     1475.79   180          1601.71   -180         162.314   -180         
1 1 1 26  0  1  o 1  8.50319      0.473696    360.448   0            ?         ?            ?         ?            
1 1 1 26  0  2  o 4  55.0803      2.67402     2459.24   0            1021.19   0            544.02    180          
1 1 1 26  0  3  o 16 14.2372      0.860385    429.437   0            ?         ?            ?         ?            
1 1 1 26  0  4  o 2  18.6566      1.28332     554.219   180          644.97    180          87.0017   180          
1 1 1 26  0  5  o 2  2.32538      0.952601    333.585   180          ?         ?            ?         ?            
1 1 1 26  0  6  o 14 7.35757      0.796747    303.196   180          173.734   180          40.0287   3.74709e-14  
1 1 1 26  0  7  o 18 10.2645      0.961207    463.786   180          717.23    180          167.241   180          
1 1 1 26  0  8  < 9  -0.772661    0.0999389   53.8333   180          ?         ?            ?         ?            
1 1 1 26  0  9  o 18 2.51652      0.614731    296.518   180          ?         ?            ?         ?            
1 1 1 26  0  10 o 1  19.9651      1.15296     736.494   180          1325.56   180          366.489   180          
1 1 1 26  0  11 o 9  1.20959      0.610552    339.453   180          ?         ?            ?         ?            
1 1 1 26  0  12 o 7  0.383624     0.340679    139.462   180          113.821   3.55264e-16  116.703   1.73246e-16  
1 1 1 26  0  13 f 0  1.71552      0.681321    399.653   0            245.475   180          300.73    180          
1 1 1 26  0  14 o 5  9.54533      1.16048     373.39    0            602.239   0            131.708   0            
1 1 1 26  0  15 o 11 1.39728      0.610446    100.155   180          ?         ?            ?         ?            
1 1 1 26  0  16 o 13 2.68012      0.632001    405.246   180          72.6144   180          146.596   1.04923e-14  
1 1 1 26  0  17 o 15 20.7401      1.42004     1220.79   0            644.491   0            235.062   180          
1 1 1 26  0  18 o 6  3.18342      0.642395    300.912   180          276.986   180          0.999749  180          
1 1 1 26  0  19 o 2  3.69545      1.14858     520.028   180          448.516   180          0.977708  3.22588e-12  
1 1 1 26  0  20 o 17 1.53991      0.614368    194.832   0            123.416   0            16.4732   180          
1 1 1 26  0  21 f 0  -0.22417     0.490935    363.399   180          ?         ?            ?         ?            
1 1 1 26  2  0  o 6  57.7483      2.03042     1738.98   -129.882     2091.84   -129.882     299.069   -129.882     
1 1 1 26  2  1  o 9  27.9995      1.16791     1190.54   134.874      717.299   134.874      151.259   -45.1256     
1 1 1 26  2  2  o 10 36.4709      1.36531     2005.3    17.1413      972.01    17.1413      369.983   -162.859     
1 1 1 26  2  3  o 11 48.1784      1.53266     1965.69   -72.799      1569.61   -72.799      51.2008   107.201      
1 1 1 26  2  4  o 8  67.9623      2.43581     2370.87   100.809      2377.79   100.809      185.125   100.809      
1 1 1 26  2  5  o 4  11.3393      0.757693    902.929   173.889      637.978   173.889      60.6397   -6.1115      
1 1 1 26  2  6  o 4  17.2242      0.856468    1075.28   69.8122      1081.8    69.8122      93.7828   69.8122      
1 1 1 26  2  7  o 19 17.9363      1.08323     1503.49   -29.765      926.247   -29.765      152.687   150.235      
1 1 1 26  2  8  o 3  23.3969      1.14443     1189.34   126.696      1361.24   126.696      200.786   126.696      
1 1 1 26  2  9  o 15 16.7589      0.879502    1608.61   -123.267     528.841   -123.267     380.015   56.733       
1 1 1 26  2  10 o 9  7.24625      0.56752     202.212   83.8621      ?         ?            ?         ?            
1 1 1 26  2  11 o 14 157.198      5.82678     2711.1    50.2479      4518.56   50.2479      1129.72   50.2479      
1 1 1 26  2  12 o 12 73.4306      2.41681     1999.8    119.281      2635.96   119.281      450.41    119.281      
1 1 1 26  2  13 o 19 72.9473      2.37717     1716      -139.924     3013.84   -139.924     737.113   -139.924     
1 1 1 26  2  14 o 5  14.0232      0.996461    562.083   140.798      831.202   140.798      160.348   140.798      
1 1 1 26  2  15 f 0  24.47        1.32956     1317      11.0166      1096.92   11.0166      46.8452   -168.983     
1 1 1 26  2  16 o 17 10.5781      0.74543     365.913   24.2817      790.079   24.2817      229.666   24.2817      
1 1 1 26  2  17 o 19 22.8007      1.20062     960.306   -48.2416     1559.8    -48.2416     340.32    -48.2416     
1 1 1 26  2  18 o 13 9.91223      0.78751     749.805   -105.699     557.229   -105.699     62.1012   74.3007      
1 1 1 26  2  19 o 8  2.1583       0.434545    370.062   -155.728     178.834   -155.728     68.4222   24.272       
1 1 1 26  2  20 o 6  0.343028     0.401292    143.783   7.51636      ?         ?            ?         ?            
1 1 1 26  2  21 o 19 1.73655      0.477861    39.962    -148.197     81.0246   -148.197     25.2021   -148.197     
1 1 1 26  4  0  o 4  9.29552      0.452828    311.737   27.2337      179.273   27.2337      42.6185   -152.766     
1 1 1 26  4  1  o 15 40.224       1.63551     1830.57   -98.5162     1694.27   -98.5162     71.9214   -98.5162     
1 1 1 26  4  2  o 3  21.643       0.809937    378.703   6.51701      875.564   6.51701      277.906   6.51701      
1 1 1 26  4  3  o 1  5.75879      0.950555    1302.78   45.0064      412.488   -134.994     753.48    -134.994     
1 1 1 26  4  4  o 15 55.6866      1.93732     2025.78   -14.3068     2248.41   -14.3068     279.864   -14.3068     
1 1 1 26  4  5  o 3  9.72977      0.474108    592.969   -35.8629     475.004   -35.8629     6.94713   144.137      
1 1 1 26  4  6  f 0  30.841       1.31965     1588.35   84.079       1502.21   84.079       104.844   84.079       
1 1 1 26  4  7  o 10 2.25678      0.371168    419.546   -78.9066     ?         ?            ?         ?            
1 1 1 26  4  8  o 6  7.40781      0.634303    946.724   168.744      329.792   168.744      214.461   -11.256      
1 1 1 26  4  9  o 9  47.0267      1.73106     1501.35   -87.4811     2355.48   -87.4811     569.738   -87.4811     
1 1 1 26  4  10 f 0  32.9719      1.98829     2064.89   13.327       1235.18   13.327       241.611   -166.673     
1 1 1 26  4  11 o 15 43.9759      1.75167     1888.04   -145.814     1843.05   -145.814     105.993   -145.814     
1 1 1 26  4  12 o 8  14.6262      0.71163     1040.61   -7.19284     763.084   -7.19284     83.2289   172.807      
1 1 1 26  4  13 o 5  2.89448      0.431525    375.382   -62.1459     122.019   117.854      231.351   117.854      
1 1 1 26  4  14 o 11 52.0252      1.74345     1262.88   -28.194      2689.35   -28.194      772.792   -28.194      
1 1 1 26  4  15 o 16 6.60568      0.6437      538.872   146.967      125.012   -33.0331     305.646   -33.0331     
1 1 1 26  4  16 o 15 28.3601      1.37517     566.553   126.253      1843.68   126.253      663.738   126.253      
1 1 1 26  4  17 o 14 20.2562      1.01644     648.079   -126.021     1743.78   -126.021     574.864   -126.021     
1 1 1 26  4  18 o 15 1.0848       0.42422     328.438   -100.035     31.1891   79.9652      160.315   79.9652      
1 1 1 26  4  19 o 16 -0.515236    0.376414    291.441   15.9791      ?         ?            ?         ?            
1 1 1 26  4  20 o 16 2.96085      0.497876    206.668   166.187      488.849   166.187      163.615   166.187      
1 1 1 26  4  21 o 10 1.33999      0.421834    285.803   93.6738      89.8216   93.6738      62.3335   -86.3262     
1 1 1 26  6  0  o 15 0.700914     0.248223    347.695   93.9159      227.315   -86.0841     257.107   -86.0841     
1 1 1 26  6  1  o 1  68.3737      2.36482     2091.45   -89.0383     2621.22   -89.0383     450.921   -89.0383     
1 1 1 26  6  2  o 9  39.003       1.5172      2063.73   -15.7623     1656.25   -15.7623     15.4358   164.238      
1 1 1 26  6  3  o 4  15.8413      0.885452    753.51    175.78       1173.75   175.78       281.038   175.78       
1 1 1 26  6  4  o 14 15.0429      0.654971    1249.72   -151.449     874.792   -151.449     66.1651   28.5513      
1 1 1 26  6  5  o 4  6.22401      0.522821    711.899   -4.94452     128.825   -4.94452     220.977   175.055      
1 1 1 26  6  6  o 16 3.36521      0.42393     290.136   177.22       0.524932  -2.77957     116.644   -2.77957     
1 1 1 26  6  7  o 14 34.8123      1.54071     1515.67   36.8961      1776.37   36.8961      274.031   36.8961      
1 1 1 26  6  8  o 2  27.2007      2.07582     1201.9    21.6476      1507.49   21.6476      256.105   21.6476      
1 1 1 26  6  9  o 3  23.6461      1.03733     851.824   -98.178      1468.03   -98.178      370.305   -98.178      
1 1 1 26  6  10 o 5  9.76735      0.631178    573.988   -179.877     563.808   -179.877     28.8268   -179.877     
1 1 1 26  6  11 o 2  24.8803      1.1642      1108.57   128.532      1426.41   128.532      213.165   128.532      
1 1 1 26  6  12 o 13 9.50395      0.772107    832.57    -139.986     87.5798   -139.986     334.299   40.0135      
1 1 1 26  6  13 o 11 17.0824      0.891085    493.14    53.3122      1313.42   53.3122      433.786   53.3122      
1 1 1 26  6  14 o 4  2.65915      0.557407    331.088   14.7059      ?         ?            ?         ?            
1 1 1 26  6  15 o 4  2.40562      0.483       388.007   -37.3894     ?         ?            ?         ?            
1 1 1 26  6  16 o 8  2.89262      0.458563    470.419   -113.316     52.6949   66.684       241.775   66.684       
1 1 1 26  6  17 o 12 9.90101      0.876017    649.839   133.727      968.83    133.727      198.295   133.727      
1 1 1 26  6  18 o 19 3.35441      0.488833    443.71    27.3198      355.097   27.3198      3.98587   -152.68      
1 1 1 26  6  19 o 3  0.146178     0.342714    301.388   158.178      ?         ?            ?         ?            
1 1 1 26  6  20 o 12 0.49816      0.464882    45.5964   60.8391      11.7333   -119.161     22.9622   -119.161     
1 1 1 26  8  0  o 18 13.988       0.804114    1304.59   178.736      685.288   178.736      180.78    -1.2643      
1 1 1 26  8  1  o 3  0.747889     0.253115    300.961   120.748      204.278   -59.2515     223.088   -59.2515     
1 1 1 26  8  2  o 14 7.61344      0.680802    1607.35   -29.5664     255.143   150.434      775.865   150.434      
1 1 1 26  8  3  o 19 2.74324      0.43086     1094.64   44.3477      371.504   -135.652     630.3     -135.652     
1 1 1 26  8  4  o 4  3.46317      0.427033    858.916   -101.588     187.662   78.4124      446.681   78.4124      
1 1 1 26  8  5  o 7  6.10801      0.503388    825.004   77.6361      136.084   -102.364     412.75    -102.364     
1 1 1 26  8  6  o 1  9.42311      0.675972    878.111   -29.5177     503.3     -29.5177     123.347   150.482      
1 1 1 26  8  7  o 15 45.6733      1.90626     2239.06   35.1664      1653.12   35.1664      152.875   -144.834     
1 1 1 26  8  8  o 14 22.2743      1.11665     920.815   35.5138      1351.79   35.5138      264.41    35.5138      
1 1 1 26  8  9  o 4  31.6843      1.33281     1393.22   -106.596     1604.36   -106.596     171.286   -106.596     
1 1 1 26  8  10 o 14 28.8251      1.14732     886.085   -92.6466     1607.59   -92.6466     401.504   -92.6466     
1 1 1 26  8  11 o 6  7.90288      0.636106    545.531   -154.057     507.919   -154.057     7.34694   -154.057     
1 1 1 26  8  12 o 5  15.7696      0.807005    1024.56   121.495      1057.42   121.495      66.3298   121.495      
1 1 1 26  8  13 o 14 2.84616      0.673072    1071.71   -41.0973     ?         ?            ?         ?            
1 1 1 26  8  14 o 8  3.47196      0.495239    272.542   -25.6534     193.92    154.347      222.02    154.347      
1 1 1 26  8  15 o 11 3.83228      0.561857    396.253   -96.5214     343.033   -96.5214     7.18641   83.4786      
1 1 1 26  8  16 o 4  2.52202      0.482387    454.062   -157.047     181.135   22.9532      283.717   22.9532      
1 1 1 26  8  17 o 9  0.713739     0.39737     156.675   29.8297      55.8341   -150.17      90.5584   -150.17      
1 1 1 26  8  18 o 10 2.59008      0.68262     205.565   -4.15071     368.587   -4.15071     104.561   -4.15071     
1 1 1 26  8  19 o 16 2.60483      0.501847    372.867   9.1015       487.167   9.1015       101.599   9.1015       
1 1 1 26  10 0  o 10 28.8871      1.35017     1366.67   -47.7287     1386.56   -47.7287     95.3302   -47.7287     
1 1 1 26  10 1  o 4  6.1028       0.583343    545.049   42.2581      131.162   -137.742     305.297   -137.742     
1 1 1 26  10 2  o 9  15.131       0.892547    673.706   145.275      728.306   145.275      65.6829   145.275      
1 1 1 26  10 3  o 9  4.37985      0.585175    554.45    -56.6987     3.58176   -56.6987     245.923   123.301      
1 1 1 26  10 4  o 9  13.0374      0.647958    1015.98   -24.1631     708.727   -24.1631     103.233   155.837      
1 1 1 26  10 5  o 13 6.97257      0.700561    549.871   132.841      42.9499   132.841      227.666   -47.1592     
1 1 1 26  10 6  o 2  3.39378      0.468807    285.687   -0.296036    110.814   179.704      185.146   179.704      
1 1 1 26  10 7  o 8  23.2176      0.99134     860.106   40.5876      1628.77   40.5876      424.419   40.5876      
1 1 1 26  10 8  f 0  4.73018      0.575521    410.831   55.8245      260.535   55.8245      55.3366   -124.176     
1 1 1 26  10 9  o 7  8.9467       0.586676    762.933   170.113      722.6     170.113      17.0685   170.113      
1 1 1 26  10 10 o 9  2.11923      0.46045     492.06    -21.2385     34.6273   158.762      240.409   158.762      
1 1 1 26  10 11 o 13 13.8904      1.23727     1238.29   -142.272     817.671   -142.272     157.76    37.7282      
1 1 1 26  10 12 o 2  6.93128      0.681858    559.101   118.855      729.502   118.855      108.633   118.855      
1 1 1 26  10 13 o 10 14.6244      0.952458    694.726   41.3116      1362.37   41.3116      370.877   41.3116      
1 1 1 26  10 14 o 1  2.07145      0.509414    299.381   -160.664     211.35    -160.664     20.8415   19.3359      
1 1 1 26  10 15 o 9  1.1581       0.436302    405.19    -152.819     37.9268   -152.819     143.188   27.1813      
1 1 1 26  10 16 o 1  2.21603      0.477026    239.967   101.48       406.179   101.48       109.629   101.48       
1 1 1 26  10 17 o 9  2.10384      0.605249    66.4021   -98.8441     172.302   -98.8441     61.2699   -98.8441     
1 1 1 26  12 0  o 10 0.389389     0.279275    369.821   -98.4062     283.791   81.5938      309.043   81.5938      
1 1 1 26  12 1  o 19 1.84566      0.341388    304.961   -98.6417     264.385   81.3583      269.933   81.3583      
1 1 1 26  12 2  o 13 4.38988      0.465404    1195.11   -31.7848     92.8396   148.215      585.792   148.215      
1 1 1 26  12 3  o 1  0.58287      0.404665    677.147   -22.751      ?         ?            ?         ?            
1 1 1 26  12 4  o 13 0.450663     0.329756    355.972   -47.6513     275.894   132.349      298.646   132.349      
1 1 1 26  12 5  o 19 11.4817      0.745857    766.016   42.2424      910.724   42.2424      108.623   42.2424      
1 1 1 26  12 6  o 16 11.2308      0.667429    594.329   -115.388     943.454   -115.388     201.339   -115.388     
1 1 1 26  12 7  o 11 8.83864      0.647267    395.827   21.3392      935.026   21.3392      286.345   21.3392      
1 1 1 26  12 8  o 11 2.28438      0.432975    512.881   159.604      164.153   -20.3962     317.387   -20.3962     
1 1 1 26  12 9  o 6  10.3189      0.877809    522.14    147.908      1110.4    147.908      317.821   147.908      
1 1 1 26  12 10 o 9  1.08191      0.417025    546.764   -88.4137     217.947   91.5863      350.604   91.5863      
1 1 1 26  12 11 o 2  3.12856      0.492811    554.972   18.5868      371.517   18.5868      48.4304   -161.413     
1 1 1 26  12 12 o 6  6.26096      0.579971    561.524   166.649      692.883   166.649      120.176   166.649      
1 1 1 26  12 13 o 5  1.45811      0.435937    282.576   -152.607     230.627   -152.607     4.39479   -152.607     
1 1 1 26  12 14 o 6  3.02509      0.55106     460.874   42.3089      500.181   42.3089      74.2697   42.3089      
1 1 1 26  14 0  o 14 0.616597     0.352508    501.187   148.66       264.338   -31.3401     361.145   -31.3401     
1 1 1 26  14 1  o 8  0.6409       0.34327     395.743   58.66        311.932   -121.34      336.321   -121.34      
1 1 1 26  14 2  o 5  1.40909      0.670716    74.7608   45.4704      16.5016   45.4704      25.6522   -134.53      
1 1 1 26  14 3  o 10 2.09101      0.435401    667.97    25.4285      52.2987   25.4285      274.089   -154.572     
1 1 1 26  14 4  o 4  1.81339      0.448056    590.498   49.9039      12.6484   -130.096     267.91    -130.096     
1 1 1 26  14 5  o 8  0.450882     0.427841    374.716   16.0207      ?         ?            ?         ?            
1 1 1 26  14 6  o 15 0.299006     0.359627    241.498   64.4859      ?         ?            ?         ?            
1 1 1 26  14 7  o 9  3.97828      0.507107    611.005   -6.09465     450.699   -6.09465     24.606    173.905      
1 1 1 26  14 8  o 16 1.48919      0.455448    236.602   -168.796     194.13    -168.796     2.69557   -168.796     
1 1 1 26  14 9  o 1  0.177438     0.367034    142.554   -1.53507     64.9337   178.465      88.416    178.465      
1 1 1 26  14 10 o 18 1.31273      0.488478    241.9     -79.4993     191.656   -79.4993     2.593     -79.4993     
1 1 1 26  14 11 o 4  1.53644      0.541318    256.123   -15.534      263.974   -15.534      36.0157   -15.534      
1 1 1 26  16 0  o 1  1.49099      0.486855    258.788   -161.867     204.793   -161.867     1.40104   -161.867     
1 1 1 26  16 1  o 16 0.116747     0.405768    146.041   -31.141      48.5241   148.859      81.0885   148.859      
1 1 1 26  16 2  o 9  1.09632      0.585889    332.663   179.925      106.866   179.925      75.3181   -0.0746668   
1 1 1 26  16 3  o 6  0.0535621    0.375392    125.733   -13.7796     44.6006   166.22       70.5152   166.22       
1 1 1 26  16 4  o 10 -0.312789    0.397644    108.151   104.996      62.0941   -75.0042     71.951    -75.0042     
1 1 1 26  16 5  o 13 1.25943      0.47409     334.924   140.588      208.188   140.588      21.4209   -39.412      
1 1 1 27  1  0  o 5  57.0613      1.8906      1374.06   107.426      2250.67   107.426      534.93    107.426      
1 1 1 27  1  1  o 4  5.1285       0.374721    347.245   19.1011      255.279   -160.899     276.412   -160.899     
1 1 1 27  1  2  o 1  62.7706      2.02715     1998.84   -142.64      2336.97   -142.64      315.091   -142.64      
1 1 1 27  1  3  o 13 2.98086      0.34122     543.441   55.3558      ?         ?            ?         ?            
1 1 1 27  1  4  o 14 2.62515      0.372016    794.141   -123         ?         ?            ?         ?            
1 1 1 27  1  5  o 10 21.0493      1.12451     1488.54   -15.88       951.192   -15.88       150.267   164.12       
1 1 1 27  1  6  o 2  15.4002      0.998702    1094.91   43.514       484.016   43.514       213.243   -136.486     
1 1 1 27  1  7  o 7  43.3811      1.67474     2013.2    139.874      1787.53   139.874      69.3168   139.874      
1 1 1 27  1  8  o 13 13.0254      0.962521    296.227   -155.089     643.49    -155.089     202.256   -155.089     
1 1 1 27  1  9  o 1  52.1105      2.07077     1181.37   -72.5272     2716.53   -72.5272     884.985   -72.5272     
1 1 1 27  1  10 o 13 6.48545      0.647034    530.114   -101.39      205.555   -101.39      111.777   78.6103      
1 1 1 27  1  11 o 11 30.8496      1.08325     1101.61   -131.134     1811.57   -131.134     446.389   -131.134     
1 1 1 27  1  12 o 3  62.9661      2.69977     1759.5    34.6571      2646.17   34.6571      558.952   34.6571      
1 1 1 27  1  13 o 8  42.6672      2.01802     1367.98   62.277       2173.19   62.277       472.494   62.277       
1 1 1 27  1  14 o 2  16.55        0.999823    403.872   17.1523      1102.31   17.1523      367.743   17.1523      
1 1 1 27  1  15 o 9  25.6698      1.20033     1198.38   66.3184      1502.78   66.3184      209.808   66.3184      
1 1 1 27  1  16 o 4  4.03425      0.530744    431.447   -37.0708     304.275   142.929      347.182   142.929      
1 1 1 27  1  17 o 7  2.4192       0.441927    198.749   117.593      36.4492   117.593      72.7868   -62.407      
1 1 1 27  1  18 o 10 9.94471      0.769484    520.198   44.9408      1031.11   44.9408      279.465   44.9408      
1 1 1 27  1  19 o 7  4.94142      0.59484     33.7917   -171.176     136.856   -171.176     54.0582   -171.176     
1 1 1 27  1  20 o 5  1.61702      0.431057    621.643   170.863      ?         ?            ?         ?            
1 1 1 27  1  21 o 9  0.925244     0.446211    48.239    -130.63      5.14667   -130.63      15.8653   49.3702      
1 1 1 27  3  0  o 19 283.974      7.27099     3882.84   150.935      5416.55   150.935      1054.88   150.935      
1 1 1 27  3  1  o 7  28.5012      1.17746     827.934   15.8759      1579.85   15.8759      437.992   15.8759      
1 1 1 27  3  2  f 0  49.976       1.58432     1274.25   -95.6787     2405.53   -95.6787     662.571   -95.6787     
1 1 1 27  3  3  o 15 11.0668      0.649658    1547.6    65.5762      144.015   -114.424     725.393   -114.424     
1 1 1 27  3  4  o 2  18.5137      1.03497     424.256   -59.9246     665.038   -59.9246     154.569   -59.9246     
1 1 1 27  3  5  o 3  21.2352      1.461       1807.72   -89.6143     817.943   -89.6143     341.713   90.3857      
1 1 1 27  3  6  o 4  8.04751      0.722634    705.669   3.5131       150.726   3.5131       213.796   -176.487     
1 1 1 27  3  7  o 19 19.7939      0.833188    725.065   171.89       1355.08   171.89       384.534   171.89       
1 1 1 27  3  8  o 16 16.0781      0.897806    904.894   -10.6181     1120.35   -10.6181     197.543   -10.6181     
1 1 1 27  3  9  o 16 25.7781      1.33454     1232.7    147.529      1464.78   147.529      236.016   147.529      
1 1 1 27  3  10 o 4  47.3893      1.82384     1768.82   -134.304     2116.1    -134.304     329.537   -134.304     
1 1 1 27  3  11 o 3  25.5421      1.28529     839.829   -97.2819     1411.94   -97.2819     347.196   -97.2819     
1 1 1 27  3  12 o 17 16.9725      1.09778     890.428   48.9339      532.208   48.9339      128.634   -131.066     
1 1 1 27  3  13 f 0  12.4292      0.668366    548.142   141.23       625.225   141.23       64.3392   141.23       
1 1 1 27  3  14 f 0  18.1042      1.06464     1032.47   -90.4867     908.415   -90.4867     13.9616   89.5133      
1 1 1 27  3  15 o 9  56.9206      1.87221     1416.27   -171.862     2592.88   -171.862     657.51    -171.862     
1 1 1 27  3  16 o 7  28.0885      1.24218     1126.77   -162.867     1791.38   -162.867     383.717   -162.867     
1 1 1 27  3  17 o 18 23.8954      1.29766     434.567   151.134      2019.44   151.134      810.323   151.134      
1 1 1 27  3  18 o 11 1.93968      0.461578    244.206   94.6019      167.64    94.6019      24.9092   -85.3981     
1 1 1 27  3  19 o 13 0.0375466    0.371398    268.069   9.00061      ?         ?            ?         ?            
1 1 1 27  3  20 o 18 0.628173     0.406998    128.93    -178.684     ?         ?            ?         ?            
1 1 1 27  3  21 o 19 1.51983      0.518505    72.4742   -88.8105     ?         ?            ?         ?            
1 1 1 27  5  0  o 16 24.8432      1.06646     1386.15   110.14       1227.35   110.14       33.573    110.14       
1 1 1 27  5  1  o 1  10.0521      0.992554    323.161   -78.5675     416.117   -78.5675     73.2525   -78.5675     
1 1 1 27  5  2  o 2  49.9119      1.99068     2397.65   159.909      1814.54   159.909      87.626    -20.091      
1 1 1 27  5  3  o 1  23.3873      0.8621      1090.9    -93.4861     1506.91   -93.4861     304.196   -93.4861     
1 1 1 27  5  4  o 6  15.917       0.81704     1170.27   93.4386      995.895   93.4386      20.5632   93.4386      
1 1 1 27  5  5  o 13 19.6312      0.931006    349.507   -73.5081     1268.05   -73.5081     492.861   -73.5081     
1 1 1 27  5  6  o 9  15.2288      0.966441    683.165   136.911      1119.43   136.911      285.746   136.911      
1 1 1 27  5  7  o 18 23.85        0.935968    619.521   148.877      1560.46   148.877      531.664   148.877      
1 1 1 27  5  8  o 5  1.51559      0.312914    386.758   175.337      191.73    -4.66278     253.013   -4.66278     
1 1 1 27  5  9  o 8  13.0858      1.12964     1212.01   -53.2667     686.19    -53.2667     162.379   126.733      
1 1 1 27  5  10 o 3  8.93908      0.570029    765.967   92.8753      435.908   92.8753      112.715   -87.1247     
1 1 1 27  5  11 o 18 39.906       1.72687     1730.37   6.88082      1798.55   6.88082      128.199   6.88082      
1 1 1 27  5  12 o 17 58.5254      1.92301     1439.63   51.0437      2511.21   51.0437      602.974   51.0437      
1 1 1 27  5  13 o 6  26.3146      1.25477     1230.8    -81.0796     1490.29   -81.0796     187.112   -81.0796     
1 1 1 27  5  14 f 0  7.71352      0.569109    585.897   60.8055      552.706   60.8055      12.0216   60.8055      
1 1 1 27  5  15 o 5  9.58132      0.74548     1044.53   -0.10999     128.267   -0.10999     409.862   179.89       
1 1 1 27  5  16 o 2  2.06165      0.571615    500.933   -82.2479     30.5786   -82.2479     214.546   97.7521      
1 1 1 27  5  17 o 2  4.97046      0.558169    562.671   42.6238      509.667   42.6238      1.7105    42.6238      
1 1 1 27  5  18 o 3  2.63123      0.491682    251.293   -129.42      332.541   -129.42      60.7007   -129.42      
1 1 1 27  5  19 o 3  2.59155      0.528915    224.808   10.2185      324.551   10.2185      73.3035   10.2185      
1 1 1 27  5  20 o 14 0.775814     0.425283    228.197   127.101      ?         ?            ?         ?            
1 1 1 27  7  0  o 5  36.768       1.72033     1277.29   140.501      1945.98   140.501      459.142   140.501      
1 1 1 27  7  1  o 12 18.7178      1.4846      1745.32   16.5608      490.001   16.5608      455.827   -163.439     
1 1 1 27  7  2  o 8  20.8626      1.04889     1767.42   149.792      886.5     149.792      265.165   -30.2084     
1 1 1 27  7  3  o 4  8.88289      0.562301    972.403   145.895      520.503   145.895      129.372   -34.1053     
1 1 1 27  7  4  o 16 48.0834      2.03598     2172.98   82.4255      1929.42   82.4255      91.2944   82.4255      
1 1 1 27  7  5  o 4  45.8729      1.80522     1538.76   -87.4434     2320.4    -87.4434     536.137   -87.4434     
1 1 1 27  7  6  o 5  6.71226      0.585266    611.52    -80.5758     100.006   -80.5758     202.141   99.4242      
1 1 1 27  7  7  o 19 6.38105      0.809831    726.43    4.43216      184.855   4.43216      214.365   -175.568     
1 1 1 27  7  8  o 8  18.6289      1.02256     661.922   -60.3711     1163.45   -60.3711     294.211   -60.3711     
1 1 1 27  7  9  o 8  21.8419      1.07041     1152.58   -4.06482     1291.38   -4.06482     132.053   -4.06482     
1 1 1 27  7  10 o 14 19.8576      1.02209     673.187   103.645      900.465   103.645      145.469   103.645      
1 1 1 27  7  11 o 9  13.593       0.848009    233.511   -27.1743     639.217   -27.1743     213.607   -27.1743     
1 1 1 27  7  12 o 11 0.760556     0.360198    839.739   60.7138      ?         ?            ?         ?            
1 1 1 27  7  13 o 19 8.22555      0.817639    1236.21   -167.157     92.3867   -167.157     512.176   12.8427      
1 1 1 27  7  14 o 4  7.54625      0.652123    540.98    -117.158     666.545   -117.158     86.4109   -117.158     
1 1 1 27  7  15 o 17 0.44056      0.354554    119.929   -120.035     ?         ?            ?         ?            
1 1 1 27  7  16 o 2  1.19269      0.447743    519.799   42.0574      ?         ?            ?         ?            
1 1 1 27  7  17 o 12 18.1248      1.06852     670.249   -75.5098     1654.76   -75.5098     550.175   -75.5098     
1 1 1 27  7  18 o 7  4.01129      0.514214    510.322   146.631      599.275   146.631      98.5825   146.631      
1 1 1 27  7  19 o 1  2.59986      0.589895    18.0275   102.826      79.0764   102.826      32.7058   102.826      
1 1 1 27  9  0  f 0  15.1938      0.752645    796.986   -6.31264     908.169   -6.31264     121.797   -6.31264     
1 1 1 27  9  1  o 4  35.8537      1.43173     2606.96   -81.4413     1005.44   -81.4413     590.78    98.5587      
1 1 1 27  9  2  o 16 11.6958      0.714495    132.901   174.035      179.706   174.035      33.5829   174.035      
1 1 1 27  9  3  o 7  4.03795      0.422291    882.34    165.958      154.529   -14.0417     455.591   -14.0417     
1 1 1 27  9  4  o 7  13.3345      0.751894    854.873   55.7466      623.818   55.7466      60.2471   -124.253     
1 1 1 27  9  5  o 11 0.83155      0.338228    181.453   -65.512      ?         ?            ?         ?            
1 1 1 27  9  6  o 2  7.33843      0.539137    888.649   99.8254      280.743   99.8254      258.402   -80.1746     
1 1 1 27  9  7  o 10 12.9362      0.767711    970.231   72.3869      777.612   72.3869      50.6729   -107.613     
1 1 1 27  9  8  o 16 1.56797      0.422429    196.863   169.477      114.712   -10.5226     146.753   -10.5226     
1 1 1 27  9  9  o 14 21.0244      1.12772     1505.98   83.4412      985.35    83.4412      189.094   -96.5588     
1 1 1 27  9  10 o 10 9.52411      0.762591    738.378   -72.0917     533.836   -72.0917     66.215    107.908      
1 1 1 27  9  11 o 3  13.623       0.735187    567.758   0.657176     1135.49   0.657176     310.842   0.657176     
1 1 1 27  9  12 o 14 2.43218      0.595149    659.274   -155.868     6.47471   24.1317      304.466   24.1317      
1 1 1 27  9  13 o 12 2.40346      0.531158    288.923   86.8791      168.172   86.8791      48.3467   -93.1209     
1 1 1 27  9  14 o 2  8.91393      0.722005    404.629   80.7363      1045.63   80.7363      342.117   80.7363      
1 1 1 27  9  15 o 19 6.3208       0.592833    504.168   47.2772      621.413   47.2772      98.6184   47.2772      
1 1 1 27  9  16 o 11 2.20546      0.462352    269.764   -81.6634     325.651   -81.6634     55.3957   -81.6634     
1 1 1 27  9  17 o 15 2.2056       0.581339    520.729   -148.782     296.437   -148.782     53.4223   31.218       
1 1 1 27  9  18 o 7  2.05754      0.701624    372.521   -120.067     281.562   -120.067     0.956028  59.9332      
1 1 1 27  11 0  o 5  19.0768      0.990539    1165.84   79.9402      1005.99   79.9402      26.0791   -100.06      
1 1 1 27  11 1  o 2  2.53302      0.490825    128.536   115.13       26.5374   -64.87       71.6303   -64.87       
1 1 1 27  11 2  o 2  7.93372      0.68545     989.315   141.865      196.587   141.865      350.979   -38.1351     
1 1 1 27  11 3  o 10 17.5682      0.978056    1138.35   -175.08      976.986   -175.08      28.1045   4.92026      
1 1 1 27  11 4  o 7  7.3927       0.833396    580.386   133.71       495.933   133.71       14.9508   -46.2905     
1 1 1 27  11 5  o 12 9.36672      0.692613    950.244   -50.5472     524.592   -50.5472     167.124   129.453      
1 1 1 27  11 6  f 0  1.99125      0.410158    255.533   -12.1611     103.493   167.839      167.031   167.839      
1 1 1 27  11 7  o 12 1.37416      0.366824    323.152   55.8559      150.54    -124.144     221.236   -124.144     
1 1 1 27  11 8  o 9  1.86406      0.415598    213.719   -0.335914    38.1286   179.664      116.127   179.664      
1 1 1 27  11 9  o 8  9.92667      0.788752    377.662   17.2116      1044.26   17.2116      349.29    17.2116      
1 1 1 27  11 10 o 4  19.1368      1.20172     854.075   178.31       1500.33   178.31       358.563   178.31       
1 1 1 27  11 11 o 8  3.3975       0.486509    361.592   -74.788      309.056   -74.788      8.52412   105.212      
1 1 1 27  11 12 f 0  1.02152      0.420107    438.629   -49.2954     74.0056   130.705      226.546   130.705      
1 1 1 27  11 13 o 11 0.947178     0.542807    272.877   71.9853      134.307   -108.015     178.785   -108.015     
1 1 1 27  11 14 o 8  2.08279      0.514009    305.331   -133.917     344.806   -133.917     51.9384   -133.917     
1 1 1 27  11 15 o 17 9.77379      0.786554    629.216   55.8419      1163.33   55.8419      339.858   55.8419      
1 1 1 27  13 0  o 5  2.9623       0.455393    211.328   130.691      113.506   130.691      39.393    -49.3091     
1 1 1 27  13 1  o 6  6.39177      0.516534    753.387   162.353      512.747   162.353      86.9346   -17.6474     
1 1 1 27  13 2  o 17 1.14557      0.43979     832.762   -112.075     367.762   67.9254      564.248   67.9254      
1 1 1 27  13 3  o 14 4.96507      0.528132    524.585   -90.8942     502.208   -90.8942     10.8579   -90.8942     
1 1 1 27  13 4  o 10 7.94585      0.626678    489.494   64.0323      869.343   64.0323      210.078   64.0323      
1 1 1 27  13 5  o 18 9.33936      0.736827    873.819   -51.6601     779.914   -51.6601     10.4657   128.34       
1 1 1 27  13 6  o 15 0.163666     0.320909    250.307   101.725      209.528   -78.2745     218.544   -78.2745     
1 1 1 27  13 7  o 9  0.66551      0.395536    295.608   73.4745      111.099   -106.525     187.393   -106.525     
1 1 1 27  13 8  o 12 1.23213      0.63082     243.617   -85.4881     88.5213   94.5119      149.51    94.5119      
1 1 1 27  13 9  o 4  1.62533      0.490464    572.954   -160.029     33.9947   -160.029     220.814   19.9712      
1 1 1 27  13 10 o 19 2.22246      0.477275    182.343   -38.1539     217.597   -38.1539     35.7496   -38.1539     
1 1 1 27  13 11 o 10 1.76395      0.469625    362.914   132.274      238.537   132.274      23.1369   -47.7265     
1 1 1 27  13 12 o 15 1.23528      0.47241     517.613   -58.9784     73.0042   -58.9784     161.887   121.022      
1 1 1 27  13 13 o 11 -0.202645    0.43488     310.719   -29.9057     198.721   150.094      217.038   150.094      
1 1 1 27  15 0  o 16 1.97513      0.551665    318.503   -27.9896     224.518   -27.9896     19.9901   152.01       
1 1 1 27  15 1  o 16 4.00313      0.888515    572.609   154.381      422.547   154.381      24.7287   -25.6186     
1 1 1 27  15 2  o 2  2.40195      0.49429     504.297   -85.0549     300.809   -85.0549     55.2809   94.9451      
1 1 1 27  15 3  o 8  0.83624      0.428889    243.092   -37.2743     60.0387   142.726      127.965   142.726      
1 1 1 27  15 4  o 8  0.208093     0.353513    211.301   -163.349     114.946   16.6514      141.591   16.6514      
1 1 1 27  15 5  o 1  0.375315     0.400748    305.278   60.9001      138.395   -119.1       189.502   -119.1       
1 1 1 27  15 6  o 14 -0.0554017   0.403992    308.414   131.079      ?         ?            ?         ?            
1 1 1 27  15 7  o 9  0.812137     0.403052    113.073   -23.4964     63.1437   -23.4964     11.9075   156.504      
1 1 1 27  15 8  o 7  0.706606     0.391144    182.635   -168.717     78.2759   -168.717     29.4497   11.2833      
1 1 1 28  0  0  o 14 119.962      5.35324     3188.35   1.20819e-13  3026.48   -1.091e-13   146.778   -2.24959e-12 
1 1 1 28  0  1  o 16 34.7124      1.88138     1570.53   180          1517.05   180          87.1242   180          
1 1 1 28  0  2  o 13 11.446       0.905358    1374.45   180          326.07    1.81933e-14  748.795   3.96122e-15  
1 1 1 28  0  3  o 2  3.31127      1.20969     758.471   180          325.968   6.84919e-15  485.061   2.30138e-15  
1 1 1 28  0  4  o 4  17.8207      2.42341     1179.67   180          1168.76   180          85.9065   180          
1 1 1 28  0  5  o 12 69.5747      3.08195     1700.88   0            3114.37   0            844.087   0            
1 1 1 28  0  6  o 18 85.6637      4.43668     1986.95   180          3474.2    180          914.058   180          
1 1 1 28  0  7  o 15 30.4714      1.69339     1818.48   0            1558.48   0            37.4731   0            
1 1 1 28  0  8  o 1  34.0348      2.08337     1417.43   0            2068.55   0            464.01    0            
1 1 1 28  0  9  o 3  1.93632      0.547047    554.122   180          198.332   8.69853e-15  321.267   2.68499e-15  
1 1 1 28  0  10 o 13 1.33425      0.512047    100.422   180          ?         ?            ?         ?            
1 1 1 28  0  11 o 9  0.711713     0.542506    36.7017   180          ?         ?            ?         ?            
1 1 1 28  0  12 o 19 27.652       2.71109     889.302   0            1986.58   0            604.411   0            
1 1 1 28  0  13 o 3  0.364195     0.444414    616.067   0            ?         ?            ?         ?            
1 1 1 28  0  14 o 14 17.272       1.39984     672.621   180          1509.04   180          449.102   180          
1 1 1 28  0  15 f 0  2.36931      0.628258    28.2218   180          15.7099   4.36684e-15  20.5985   1.66524e-15  
1 1 1 28  0  16 o 11 1.59953      0.579996    346.734   180          120.456   1.12713e-14  217.202   3.1254e-15   
1 1 1 28  0  17 o 17 3.76836      0.651555    548.209   180          180.863   180          160.929   1.49026e-14  
1 1 1 28  0  18 o 5  1.63722      0.594044    183.595   0            ?         ?            ?         ?            
1 1 1 28  0  19 o 11 1.53019      0.616627    183.46    0            ?         ?            ?         ?            
1 1 1 28  0  20 o 3  -0.10963     0.603686    234.521   0            ?         ?            ?         ?            
1 1 1 28  0  21 o 5  0.299651     0.549675    382.435   0            ?         ?            ?         ?            
1 1 1 28  2  0  o 2  44.4612      1.74344     1965.36   82.4827      1537.76   82.4827      69.6885   -97.5173     
1 1 1 28  2  1  o 3  27.5754      1.23        871.496   38.8557      1312.91   38.8557      285.319   38.8557      
1 1 1 28  2  2  o 7  4.35084      0.31465     367.678   -48.7944     ?         ?            ?         ?            
1 1 1 28  2  3  o 8  17.3026      1.04255     1893.5    90.8529      199.282   -89.1471     900.761   -89.1471     
1 1 1 28  2  4  o 17 43.3487      1.86107     1691.45   -42.0495     1839.97   -42.0495     208.608   -42.0495     
1 1 1 28  2  5  f 0  47.8947      2.32376     1716.54   70.6043      1878.68   70.6043      224.162   70.6043      
1 1 1 28  2  6  o 15 44.7616      1.704       2266.11   -87.1366     1733.03   -87.1366     65.2739   92.8634      
1 1 1 28  2  7  o 11 5.51165      0.548034    744.398   -139.748     84.2045   -139.748     259.522   40.2519      
1 1 1 28  2  8  o 18 38.0641      1.42473     1167.55   -138.167     2233.4    -138.167     648.46    -138.167     
1 1 1 28  2  9  o 8  63.2134      2.09123     2248.95   0.938145     2481.9    0.938145     337.062   0.938145     
1 1 1 28  2  10 o 9  8.45485      0.555576    309.919   11.0326      236.073   11.0326      9.08156   -168.967     
1 1 1 28  2  11 o 6  9.87962      0.856089    740.43    -124.297     528.362   -124.297     50.6046   55.703       
1 1 1 28  2  12 o 17 44.9552      1.77883     1373.14   -88.0716     2223.6    -88.0716     505.211   -88.0716     
1 1 1 28  2  13 f 0  18.2834      0.991202    745.18    28.0715      1245.47   28.0715      285.596   28.0715      
1 1 1 28  2  14 o 15 110.993      3.52101     1478.29   83.7373      4300.54   83.7373      1479.63   83.7373      
1 1 1 28  2  15 o 17 7.49952      0.777975    238.824   -161.798     121.022   -161.798     47.2433   18.2019      
1 1 1 28  2  16 o 5  19.5976      1.12006     348.131   51.368       1504.18   51.368       594.061   51.368       
1 1 1 28  2  17 f 0  9.72638      0.960638    824.649   142.334      779.345   142.334      11.2643   142.334      
1 1 1 28  2  18 o 11 3.23946      0.49683     538.358   152.888      153.278   152.888      163.879   -27.1116     
1 1 1 28  2  19 o 8  3.21247      0.514733    247.133   106.378      301.855   106.378      48.5583   106.378      
1 1 1 28  2  20 o 10 2.08188      0.581187    146.059   61.1384      ?         ?            ?         ?            
1 1 1 28  2  21 o 18 0.454749     0.388241    257.676   -115.5       ?         ?            ?         ?            
1 1 1 28  4  0  f 0  191.5        5.8382      4019.07   -12.9722     3782.14   -12.9722     195.201   -12.9722     
1 1 1 28  4  1  o 6  52.8692      2.16126     1807.28   150.066      2314.53   150.066      396.59    150.066      
1 1 1 28  4  2  o 19 59.2351      2.52187     2576.41   -30.0254     1903.73   -30.0254     127.885   149.975      
1 1 1 28  4  3  f 0  5.50295      0.951877    427.537   156.029      135.153   156.029      110.413   -23.9707     
1 1 1 28  4  4  o 11 13.5876      0.766462    1215.13   179.796      418.354   179.796      291.978   -0.204316    
1 1 1 28  4  5  o 16 5.82933      0.40803     502.424   142.771      65.7902   -37.2288     237.734   -37.2288     
1 1 1 28  4  6  o 15 8.70744      0.544128    1156.17   -124.291     353.498   -124.291     289.363   55.7092      
1 1 1 28  4  7  o 2  1.31164      0.328926    263.778   -106.844     182.071   73.1563      196.722   73.1563      
1 1 1 28  4  8  o 13 3.5435       0.381846    787.936   -13.8651     289.658   166.135      462.043   166.135      
1 1 1 28  4  9  f 0  27.277       1.57323     1715.78   61.5414      1298.84   61.5414      55.1682   -118.459     
1 1 1 28  4  10 o 13 25.9061      1.09229     1389.77   -93.2697     1385.95   -93.2697     103.146   -93.2697     
1 1 1 28  4  11 o 3  6.28773      0.537712    189.285   126.164      68.4431   -53.8359     117.51    -53.8359     
1 1 1 28  4  12 o 19 8.8961       0.643263    587.997   -15.1539     336.918   -15.1539     96.8692   164.846      
1 1 1 28  4  13 o 8  5.26118      0.533137    582.204   142.998      135.29    142.998      196.706   -37.0025     
1 1 1 28  4  14 o 12 6.36088      0.583259    574.89    69.8132      365.315   69.8132      76.9898   -110.187     
1 1 1 28  4  15 o 6  10.9478      0.830197    421.392   -50.6645     935.388   -50.6645     277.11    -50.6645     
1 1 1 28  4  16 o 1  1.48923      0.414993    157.773   -174.648     ?         ?            ?         ?            
1 1 1 28  4  17 o 5  5.53194      0.581992    518.014   -113.304     597.732   -113.304     63.336    -113.304     
1 1 1 28  4  18 o 17 0.978266     0.392562    48.6193   -82.7735     5.49293   97.2265      23.5882   97.2265      
1 1 1 28  4  19 o 11 5.55463      0.781921    416.902   -166.515     666.443   -166.515     166.621   -166.515     
1 1 1 28  4  20 o 9  0.752591     0.410612    180.448   -49.3371     79.6252   130.663      109.466   130.663      
1 1 1 28  6  0  o 12 29.4599      1.85242     1327.53   11.7393      1562.79   11.7393      239.199   11.7393      
1 1 1 28  6  1  o 1  13.3877      0.914769    993.685   88.181       380.676   88.181       214.009   -91.819      
1 1 1 28  6  2  o 19 6.69112      0.520398    501.176   -93.9918     129.332   -93.9918     138.237   86.0082      
1 1 1 28  6  3  o 5  3.62952      0.607987    459.222   -35.5565     59.5478   -35.5565     155.117   144.443      
1 1 1 28  6  4  o 9  20.7888      1.01412     1014.55   -66.6974     1441.11   -66.6974     313.789   -66.6974     
1 1 1 28  6  5  o 16 2.86546      0.397829    607.189   -147.537     134.213   32.4627      310.516   32.4627      
1 1 1 28  6  6  o 11 15.9342      0.752809    748.014   -103.198     1149.05   -103.198     272.485   -103.198     
1 1 1 28  6  7  o 12 14.601       0.757373    1211.41   -109.542     654.944   -109.542     170.118   70.4584      
1 1 1 28  6  8  o 18 5.55376      0.650142    1056.57   -104.384     735.742   75.616       813.571   75.616       
1 1 1 28  6  9  o 6  32.952       1.25292     1443.37   64.0194      1645.91   64.0194      194.733   64.0194      
1 1 1 28  6  10 o 13 13.7704      0.949025    598.739   -146.22      604.795   -146.22      34.6532   -146.22      
1 1 1 28  6  11 o 11 48.2267      1.83778     1423.23   25.5043      2244.59   25.5043      476.813   25.5043      
1 1 1 28  6  12 o 11 16.1976      0.890644    259.046   -45.6789     291.643   -45.6789     28.3673   -45.6789     
1 1 1 28  6  13 o 15 19.8587      1.02131     733.482   85.2151      1490.1    85.2151      414.097   85.2151      
1 1 1 28  6  14 o 3  15.1667      1.04444     497.466   -169.589     1330.78   -169.589     439.973   -169.589     
1 1 1 28  6  15 o 6  15.6191      0.921393    981.387   145.021      944.968   145.021      22.6176   145.021      
1 1 1 28  6  16 o 4  0.855827     0.456812    211.836   -7.35149     122.895   172.649      157.573   172.649      
1 1 1 28  6  17 o 11 4.56995      0.568582    461.495   -139.376     532.447   -139.376     68.4822   -139.376     
1 1 1 28  6  18 o 17 0.742644     0.417476    176.007   -46.8425     14.0707   -46.8425     63.4492   133.157      
1 1 1 28  6  19 o 17 3.60076      0.526293    152.939   65.632       576.675   65.632       229.067   65.632       
1 1 1 28  8  0  o 7  3.3185       0.46857     681.165   -64.0083     92.3394   115.992      321.082   115.992      
1 1 1 28  8  1  o 13 0.798941     0.274309    712.06    -19.9084     ?         ?            ?         ?            
1 1 1 28  8  2  o 18 11.7131      0.604588    682.885   -165.857     709.246   -165.857     76.3689   -165.857     
1 1 1 28  8  3  o 10 23.0276      1.14346     1460.78   28.0512      1078.67   28.0512      61.8244   -151.949     
1 1 1 28  8  4  o 18 46.5656      1.73634     2082.75   -126.456     1878.14   -126.456     69.4501   -126.456     
1 1 1 28  8  5  o 3  3.91905      0.465866    970.501   163.061      193.42    -16.9388     509.683   -16.9388     
1 1 1 28  8  6  o 10 19.9851      1.04956     1274.16   85.6471      1095.65   85.6471      6.31193   -94.3529     
1 1 1 28  8  7  o 13 13.1464      1.0632      958.188   -100.248     804.04    -100.248     23.5754   79.7518      
1 1 1 28  8  8  o 16 2.2815       0.400822    403.031   64.4743      151.371   -115.526     257.515   -115.526     
1 1 1 28  8  9  o 12 46.0388      1.7013      2020.76   72.0067      1819.09   72.0067      8.02804   -107.993     
1 1 1 28  8  10 o 5  3.309        0.463821    131.514   23.7009      78.5776   -156.299     98.8782   -156.299     
1 1 1 28  8  11 o 19 12.8624      0.837059    789.765   -65.8846     1025.49   -65.8846     156.381   -65.8846     
1 1 1 28  8  12 o 8  15.3177      1.14295     711.945   -85.9169     1245.85   -85.9169     300.775   -85.9169     
1 1 1 28  8  13 o 13 7.90273      0.681648    721.52    123.83       509.89    123.83       74.9817   -56.1699     
1 1 1 28  8  14 o 2  0.564301     0.390666    112.505   -46.9369     ?         ?            ?         ?            
1 1 1 28  8  15 o 4  0.743181     0.471816    260.994   -0.180029    ?         ?            ?         ?            
1 1 1 28  8  16 o 13 0.870909     0.419366    377.748   166.664      87.2859   -13.3358     199.919   -13.3358     
1 1 1 28  8  17 o 4  3.0129       0.603125    284.287   82.1065      400.633   82.1065      88.1493   82.1065      
1 1 1 28  8  18 o 5  1.98216      0.557185    193.758   -134.692     304.271   -134.692     78.285    -134.692     
1 1 1 28  10 0  o 10 3.62924      0.403222    319.295   -119.177     31.2694   60.8229      157.234   60.8229      
1 1 1 28  10 1  o 8  4.46738      0.413421    414.613   89.3766      96.2872   -90.6234     232.836   -90.6234     
1 1 1 28  10 2  o 11 20.6365      1.09739     1911.99   -45.8071     554.283   -45.8071     579.543   134.193      
1 1 1 28  10 3  o 17 3.75596      0.421308    167.767   91.8895      127.432   -88.1105     139.344   -88.1105     
1 1 1 28  10 4  o 14 3.75886      0.390264    684.593   -119.155     213.363   60.8447      416.814   60.8447      
1 1 1 28  10 5  o 9  1.36008      0.345786    134.437   -154.406     120.609   25.5945      121.352   25.5945      
1 1 1 28  10 6  o 11 34.2116      1.5717      1389.17   -178.527     1797.94   -178.527     268.694   -178.527     
1 1 1 28  10 7  o 8  23.3122      0.983542    1490.95   -92.6933     1161.76   -92.6933     93.4437   87.3067      
1 1 1 28  10 8  o 9  34.8914      1.55565     1371.67   50.7248      1909.01   50.7248      335.669   50.7248      
1 1 1 28  10 9  o 17 2.70482      0.455929    424.202   178.877      101.142   178.877      141.208   -1.12293     
1 1 1 28  10 10 o 8  6.86344      0.6585      654.001   93.9311      603.032   93.9311      3.52585   93.9311      
1 1 1 28  10 11 o 11 0.88851      0.553926    490.853   128.763      310.806   -51.2374     380.62    -51.2374     
1 1 1 28  10 12 o 2  2.83981      0.50933     158.908   -50.5121     162.204   -50.5121     8.88126   -50.5121     
1 1 1 28  10 13 o 4  8.21445      0.714762    545.966   -153.868     960.22    -153.868     241.668   -153.868     
1 1 1 28  10 14 o 2  4.34723      0.557106    300.117   34.5735      584.606   34.5736      168.786   34.5736      
1 1 1 28  10 15 o 13 1.0527       0.408836    348.504   109.606      38.7723   109.606      118.243   -70.3936     
1 1 1 28  10 16 o 5  0.721622     0.588081    209.881   10.0214      53.554    10.0214      53.7931   -169.979     
1 1 1 28  12 0  o 10 2.53836      0.528626    430.872   -112.524     19.9177   67.4758      204.403   67.4758      
1 1 1 28  12 1  o 6  0.709936     0.421379    378.831   -72.719      ?         ?            ?         ?            
1 1 1 28  12 2  o 13 15.6652      0.788208    1068.98   151.526      1059.37   151.526      47.4095   151.526      
1 1 1 28  12 3  o 1  10.9829      0.826177    1179.09   138.172      516.526   138.172      274.132   -41.8284     
1 1 1 28  12 4  o 6  1.00098      0.331604    366.457   -177.451     226.684   2.54918      279.197   2.54918      
1 1 1 28  12 5  o 10 19.6472      1.05272     1327.26   164.037      1123.26   164.037      41.6583   -15.9632     
1 1 1 28  12 6  o 6  2.73629      0.549775    342.936   47.6939      71.7666   -132.306     192.629   -132.306     
1 1 1 28  12 7  o 12 3.79812      0.642147    326.83    163.791      359.892   163.791      29.9869   163.791      
1 1 1 28  12 8  o 18 0.591806     0.380546    107.147   35.7221      ?         ?            ?         ?            
1 1 1 28  12 9  o 13 8.05423      0.895263    555.822   37.0322      906.654   37.0322      204.119   37.0322      
1 1 1 28  12 10 o 6  0.280931     0.386924    91.6614   -154.57      ?         ?            ?         ?            
1 1 1 28  12 11 o 10 1.22458      0.413057    152.781   -150.071     61.778    -150.071     31.9828   29.9293      
1 1 1 28  12 12 o 14 1.19896      0.423513    360.257   77.1216      5.41491   -102.878     145.69    -102.878     
1 1 1 28  12 13 o 8  0.884093     0.453359    367.598   -156.886     2.45152   23.1141      144.159   23.1141      
1 1 1 28  12 14 o 5  0.902094     0.503576    157       -98.6839     97.1577   -98.6839     10.3136   81.3161      
1 1 1 28  14 0  o 10 0.811315     0.432583    347.351   -32.3372     120.214   147.663      217.491   147.663      
1 1 1 28  14 1  o 14 1.60589      0.481611    361.265   -91.5311     80.9329   -91.5311     122.502   88.4689      
1 1 1 28  14 2  o 13 1.63075      0.440139    373.97    -135.666     94.3805   -135.666     120.194   44.3339      
1 1 1 28  14 3  o 17 1.36667      0.43158     307.394   -152.977     70.1557   -152.977     100.793   27.0232      
1 1 1 28  14 4  o 3  2.24994      0.483131    593.009   -143.072     173.484   -143.072     170.602   36.9278      
1 1 1 28  14 5  o 15 2.54892      0.48547     491.343   -105.953     308.48    -105.953     53.8843   74.0471      
1 1 1 28  14 6  o 11 0.148845     0.3515      421.198   -53.2023     304.249   126.798      325.677   126.798      
1 1 1 28  14 7  o 10 3.2195       0.551468    475.563   168.626      448.192   168.626      33.0882   168.626      
1 1 1 28  14 8  o 3  2.81695      0.590136    303.218   150.325      476.097   150.325      118.428   150.325      
1 1 1 28  14 9  o 9  0.47448      0.455554    378.014   -139.738     51.8499   40.2622      172.991   40.2622      
1 1 1 28  14 10 o 3  0.413052     0.422533    223.288   27.9455      48.4124   -152.054     108.799   -152.054     
1 1 1 28  16 0  o 13 0.570434     0.460203    240.082   54.3062      6.38191   54.3062      89.6446   -125.694     
1 1 1 28  16 1  o 4  0.290143     0.394044    132.154   -155.039     43.4429   24.9612      72.5881   24.9612      
1 1 1 28  16 2  o 17 -0.304985    0.498135    264.201   -68.557      103.56    111.443      152.662   111.443      
1 1 1 28  16 3  o 2  0.176518     0.534096    148.407   -177.915     34.6766   2.08537      73.367    2.08537      
1 1 1 28  16 4  o 17 0.32006      0.442828    297.496   -25.2969     45.8115   154.703      134.381   154.703      
1 1 1 29  1  0  o 16 10.2044      0.510321    1210.64   -33.7827     91.8442   -33.7827     470.68    146.217      
1 1 1 29  1  1  o 3  27.0001      1.06005     1030.75   116.691      1377.62   116.691      249.842   116.691      
1 1 1 29  1  2  o 13 0.972941     0.288226    275.17    37.3668      ?         ?            ?         ?            
1 1 1 29  1  3  o 10 8.42956      0.960426    705.862   45.2632      67.5416   45.2632      264.853   -134.737     
1 1 1 29  1  4  o 1  72.6645      3.02724     2314.98   -114.971     2544.64   -114.971     298.861   -114.971     
1 1 1 29  1  5  o 1  17.8415      0.907926    1334.69   -96.3973     925.47    -96.3973     93.1814   83.6027      
1 1 1 29  1  6  o 14 23.1486      0.945204    1821.73   -9.81474     957.343   -9.81474     270.07    170.185      
1 1 1 29  1  7  o 17 8.99046      0.553848    1355.42   0.356487     172.745   0.356486     462.587   -179.644     
1 1 1 29  1  8  o 8  0.86578      0.328902    618.143   50.783       ?         ?            ?         ?            
1 1 1 29  1  9  o 18 59.9687      2.22193     1802.28   -116.392     2678.32   -116.392     614.5     -116.392     
1 1 1 29  1  10 o 9  65.778       2.48261     1391.44   16.7813      2862.28   16.7813      859.77    16.7813      
1 1 1 29  1  11 o 18 0.623818     0.349536    183.148   -80.1855     142.454   99.8145      149.213   99.8145      
1 1 1 29  1  12 o 9  35.1597      1.65302     1438.46   107.18       1712.76   107.18       220.076   107.18       
1 1 1 29  1  13 o 17 34.0809      1.55876     1240.9    -46.5631     1769.06   -46.5631     322.832   -46.5631     
1 1 1 29  1  14 o 3  103.984      3.36795     2480.2    -85.2097     3324.78   -85.2097     537.467   -85.2097     
1 1 1 29  1  15 o 13 5.85666      0.609659    637.54    -149.822     314.685   -149.822     130.286   30.1781      
1 1 1 29  1  16 o 16 5.9816       0.558384    628.678   -126.215     112.369   -126.215     229.361   53.7846      
1 1 1 29  1  17 o 19 15.2465      0.844571    698.434   -103.985     1243.69   -103.985     301.363   -103.985     
1 1 1 29  1  18 o 11 1.15565      0.447169    113.346   -125.772     ?         ?            ?         ?            
1 1 1 29  1  19 f 0  3.15613      0.57641     366.987   87.2423      20.4109   -92.7577     161.69    -92.7577     
1 1 1 29  1  20 o 7  1.24269      0.460374    545.114   -18.8477     7.61056   -18.8477     210.205   161.152      
1 1 1 29  1  21 o 11 3.54693      0.528855    251.081   -53.2822     ?         ?            ?         ?            
1 1 1 29  3  0  o 13 15.7966      1.08852     193.464   109.808      331.357   109.808      83.7033   109.808      
1 1 1 29  3  1  o 10 39.8752      1.48625     1405.54   -137.392     1701.42   -137.392     256.397   -137.392     
1 1 1 29  3  2  o 10 64.1278      2.26345     1687.86   141.626      2614.7    141.626      596.205   141.626      
1 1 1 29  3  3  o 1  158.139      5.99426     3136.81   -133.054     4120.79   -133.054     746.3     -133.054     
1 1 1 29  3  4  o 7  54.1446      2.50369     2433.87   -9.44398     1854.9    -9.44398     83.4193   170.556      
1 1 1 29  3  5  o 4  10.8763      0.876268    694.942   103.388      321.13    103.388      124.738   -76.6118     
1 1 1 29  3  6  o 5  18.5722      0.858908    1002.36   60.5042      1265.53   60.5042      226.524   60.5042      
1 1 1 29  3  7  o 16 14.5212      0.783301    671.655   -5.2944      1119.33   -5.2944      290.116   -5.2944      
1 1 1 29  3  8  o 8  18.1918      0.889885    779.181   78.9779      1269.57   78.9779      322.167   78.9779      
1 1 1 29  3  9  o 11 6.21504      0.490201    1001.35   -79.4496     191.301   100.55       503.458   100.55       
1 1 1 29  3  10 o 12 1.1361       0.406467    336.641   163.812      ?         ?            ?         ?            
1 1 1 29  3  11 o 4  34.8598      1.33574     1206.85   165.317      1898.74   165.317      423.209   165.317      
1 1 1 29  3  12 o 2  5.96347      0.792852    488.469   18.3629      18.6587   18.3629      210.098   -161.637     
1 1 1 29  3  13 o 8  3.12368      0.422634    1054.63   45.0729      672.889   -134.927     815.373   -134.927     
1 1 1 29  3  14 f 0  25.1412      1.21224     897.199   -137.431     1643.77   -137.431     416.206   -137.431     
1 1 1 29  3  15 o 13 19.8579      1.03184     936.718   3.01909      1126.51   3.01909      140.2     3.01909      
1 1 1 29  3  16 o 15 13.6946      1.10234     968.757   5.47069      851.345   5.47069      17.0165   -174.529     
1 1 1 29  3  17 o 10 1.21372      0.507914    347.947   -8.83723     185.529   171.163      251.661   171.163      
1 1 1 29  3  18 o 4  5.7101       0.648745    394.173   -24.4956     703.022   -24.4956     180.543   -24.4956     
1 1 1 29  3  19 o 11 2.11781      0.436513    437.382   -16.8043     201.476   -16.8043     75.3331   163.196      
1 1 1 29  3  20 o 11 0.941007     0.505527    231.014   175.223      ?         ?            ?         ?            
1 1 1 29  5  0  o 13 11.8263      0.816128    1163.93   -133.588     579.66    -133.588     192.674   46.4123      
1 1 1 29  5  1  o 6  10.863       1.41606     668.963   -51.7856     721.319   -51.7856     84.4319   -51.7856     
1 1 1 29  5  2  o 16 60.5637      2.35863     2192.42   59.0745      2321.35   59.0745      260.753   59.0745      
1 1 1 29  5  3  o 15 38.1439      1.3924      1877.85   -152.04      1654.77   -152.04      62.4914   -152.04      
1 1 1 29  5  4  f 0  7.39935      0.510684    330.941   39.052       239.372   39.052       13.9951   -140.948     
1 1 1 29  5  5  o 14 6.95792      0.467744    599.151   67.814       419.521   67.814       30.6658   -112.186     
1 1 1 29  5  6  o 3  1.87907      0.343755    290.496   112.69       116.659   -67.3096     174.763   -67.3096     
1 1 1 29  5  7  o 3  38.6131      1.45023     1629.77   -146.08      1922.13   -146.08      302.284   -146.08      
1 1 1 29  5  8  o 3  15.691       1.43454     1199.23   47.1415      788.298   47.1415      100.7     -132.858     
1 1 1 29  5  9  o 13 14.2591      0.757412    1299.5    -118.299     689.301   -118.299     208.361   61.7011      
1 1 1 29  5  10 o 15 41.8863      1.63056     1714.89   51.238       1892.05   51.2379      191.643   51.2379      
1 1 1 29  5  11 o 14 16.7348      0.848755    425.269   -173.541     873.032   -173.541     244.866   -173.541     
1 1 1 29  5  12 o 16 47.2623      1.61351     1678.95   138.778      2127.41   138.778      301.238   138.778      
1 1 1 29  5  13 f 0  1.32476      0.354327    479.055   -91.0841     408.811   88.9159      420.997   88.9159      
1 1 1 29  5  14 o 17 2.15932      0.541251    326.117   108.232      272.001   -71.7683     283.247   -71.7683     
1 1 1 29  5  15 o 18 7.78065      0.739369    285.948   77.9581      700.247   77.9581      219.631   77.9581      
1 1 1 29  5  16 o 19 1.96769      0.464489    439.747   -156.041     17.5106   -156.041     192.611   23.9586      
1 1 1 29  5  17 o 9  0.853273     0.423166    44.9298   -133.521     ?         ?            ?         ?            
1 1 1 29  5  18 o 9  0.953761     0.410569    226.594   74.3379      ?         ?            ?         ?            
1 1 1 29  5  19 o 14 0.910494     0.393941    200.111   -126.381     ?         ?            ?         ?            
1 1 1 29  5  20 o 15 2.001        0.606317    265.369   114.417      351.62    114.417      76.3699   114.417      
1 1 1 29  7  0  o 9  25.6363      1.51036     850.159   -126.728     1633.39   -126.728     476       -126.728     
1 1 1 29  7  1  o 3  2.2761       0.4209      806.045   175          ?         ?            ?         ?            
1 1 1 29  7  2  o 4  62.9138      1.79833     1952.17   60.8611      2581.11   60.8611      507.868   60.8611      
1 1 1 29  7  3  o 16 36.9538      1.63185     1586.71   -92.6871     1899.63   -92.6871     311.48    -92.6871     
1 1 1 29  7  4  o 18 41.365       1.56353     1445.67   -113.633     2194.63   -113.633     511.108   -113.633     
1 1 1 29  7  5  f 0  28.2696      1.4457      1107.12   8.59412      1738.93   8.59412      414.182   8.59412      
1 1 1 29  7  6  o 5  14.0116      0.686812    533.094   -98.8145     873.598   -98.8145     212.985   -98.8145     
1 1 1 29  7  7  o 10 8.64038      0.690286    815.749   -30.3322     345.917   -30.3322     178.4     149.668      
1 1 1 29  7  8  o 6  14.9505      0.898891    1101.1    135.431      725.624   135.431      123.813   -44.5695     
1 1 1 29  7  9  o 2  27.3889      1.2866      1882.34   155.298      995.059   155.298      350.548   -24.7023     
1 1 1 29  7  10 o 10 13.8082      0.769391    906.343   66.3405      939.579   66.3405      58.2451   66.3405      
1 1 1 29  7  11 o 8  1.71872      0.411575    666.865   -95.7092     ?         ?            ?         ?            
1 1 1 29  7  12 o 2  8.46727      0.622184    395.864   -170.381     681.717   -170.381     162.271   -170.381     
1 1 1 29  7  13 o 17 6.97107      0.860459    796.708   39.9393      177.403   39.9393      272.539   -140.061     
1 1 1 29  7  14 o 11 4.37767      0.528016    185.892   29.0839      14.6585   -150.916     92.5399   -150.916     
1 1 1 29  7  15 o 17 5.92396      0.673469    502.712   -5.50785     542.391   -5.50785     42.6654   -5.50785     
1 1 1 29  7  16 o 1  2.03675      0.66257     228.748   -159.158     175.661   -159.158     10.9529   20.8424      
1 1 1 29  7  17 o 9  1.7408       0.445438    82.6796   -165.046     94.6697   -165.046     13.9683   -165.046     
1 1 1 29  7  18 o 8  5.45614      0.579791    253.157   2.55835      880.72    2.55835      341.608   2.55835      
1 1 1 29  7  19 f 0  1.64291      0.455106    163.382   -87.1004     194.943   -87.1004     36.182    -87.1004     
1 1 1 29  9  0  o 13 20.8871      0.811882    1185.29   -114.446     1101.6    -114.446     48.1204   -114.446     
1 1 1 29  9  1  o 1  122.85       3.75219     3296.71   123.523      3240.18   123.523      212.692   123.523      
1 1 1 29  9  2  o 17 13.2587      0.770094    747.412   154.294      468.97    154.294      87.6939   -25.7065     
1 1 1 29  9  3  o 4  5.93091      0.49591     276.095   -159.287     37.6842   -159.287     101.632   20.713       
1 1 1 29  9  4  o 2  4.34377      0.405043    826.096   79.3938      205.271   -100.606     468.012   -100.606     
1 1 1 29  9  5  o 15 4.741        0.61888     949.132   43.0519      128.001   -136.948     489.204   -136.948     
1 1 1 29  9  6  o 9  5.95417      0.508914    601.399   -113.686     215.039   -113.686     164.474   66.3144      
1 1 1 29  9  7  f 0  46.2216      1.81177     1997.7    -166.54      1821.78   -166.54      3.74477   -166.54      
1 1 1 29  9  8  o 19 13.5635      0.696453    866.971   -106.546     900.36    -106.546     57.1108   -106.546     
1 1 1 29  9  9  o 6  1.32989      0.499335    353.993   -15.9836     171.9     164.016      245.813   164.016      
1 1 1 29  9  10 o 5  13.4539      0.949361    1053.45   93.5712      852.478   93.5712      49.3044   -86.4288     
1 1 1 29  9  11 o 3  2.05447      0.649148    359.576   73.9377      118.119   -106.062     222.528   -106.062     
1 1 1 29  9  12 o 17 1.52178      0.459013    400.597   -96.4654     ?         ?            ?         ?            
1 1 1 29  9  13 o 8  6.93175      0.710238    643.066   -41.5735     720.898   -41.5735     67.8511   -41.5735     
1 1 1 29  9  14 f 0  4.88232      0.604416    519.753   78.8909      559.046   78.8909      52.8479   78.8909      
1 1 1 29  9  15 o 12 2.67911      0.484281    326.1     -73.2889     291.01    -73.2889     11.9774   -73.2889     
1 1 1 29  9  16 o 10 1.34883      0.427703    292.569   -57.8501     120.798   -57.8501     54.7319   122.15       
1 1 1 29  9  17 o 12 2.61045      0.862995    228.365   90.5275      331.194   90.5275      78.7885   90.5275      
1 1 1 29  11 0  f 0  16.0635      0.885141    1191.38   85.7304      813.567   85.7304      134.232   -94.2696     
1 1 1 29  11 1  o 4  12.3285      0.826004    949.771   -126.544     814.403   -126.544     23.9613   53.4557      
1 1 1 29  11 2  o 3  27.7427      1.2453      1214.67   22.1975      1614.73   22.1975      256.422   22.1975      
1 1 1 29  11 3  o 15 35.7677      1.51014     1536.59   32.4251      1739.74   32.4251      174.024   32.4251      
1 1 1 29  11 4  o 15 2.77156      0.450012    290.523   27.2964      102.794   -152.704     182.69    -152.704     
1 1 1 29  11 5  o 15 6.62177      0.684456    415.969   89.2013      432.793   89.2013      28.7118   89.2013      
1 1 1 29  11 6  o 11 4.49551      0.497722    346.881   -51.428      267.718   -51.428      22.7274   128.572      
1 1 1 29  11 7  o 13 0.693535     0.357747    668.834   84.2226      535.501   -95.7774     570.89    -95.7774     
1 1 1 29  11 8  o 17 2.36614      0.509026    257.966   -112.462     102.149   -112.462     66.6774   67.5381      
1 1 1 29  11 9  o 14 13.2633      0.929741    628.86    -25.941      1260.6    -25.941      341.75    -25.941      
1 1 1 29  11 10 o 4  6.20748      0.669961    378.228   -5.61458     761.126   -5.61458     208.212   -5.61458     
1 1 1 29  11 11 o 5  3.03776      0.526285    522.665   -28.7253     46.2659   -28.7253     208.072   151.275      
1 1 1 29  11 12 o 10 2.04         0.491563    360.579   166.039      264.219   166.039      19.5094   -13.9612     
1 1 1 29  11 13 o 4  2.08197      0.57814     316.138   -94.0216     131.305   -94.0216     61.0494   85.9784      
1 1 1 29  11 14 o 13 2.00244      0.47862     232.19    -12.9643     333.603   -12.9643     76.0438   -12.9643     
1 1 1 29  11 15 f 0  2.57901      0.782048    265.725   -131.502     395.708   -131.502     97.7044   -131.502     
1 1 1 29  13 0  o 2  3.42435      0.443894    380.374   49.845       236.655   49.845       55.4771   -130.155     
1 1 1 29  13 1  o 19 3.20429      0.454884    568.507   19.8392      224.279   19.8392      148.003   -160.161     
1 1 1 29  13 2  o 4  3.31844      0.591274    505.238   138.762      ?         ?            ?         ?            
1 1 1 29  13 3  o 4  1.29043      0.402216    264.768   -135.188     194.579   44.8124      218.782   44.8124      
1 1 1 29  13 4  o 2  3.96668      0.511755    147.08    103.308      268.394   103.308      66.7947   103.308      
1 1 1 29  13 5  o 15 1.80832      0.455685    319.251   -34.102      50.3013   -34.102      120.204   145.898      
1 1 1 29  13 6  o 4  0.501668     0.369641    133.097   -53.6074     61.9969   126.393      90.6811   126.393      
1 1 1 29  13 7  f 0  1.47096      0.441128    316.507   -67.1727     66.488    -67.1727     104.965   112.827      
1 1 1 29  13 8  o 9  0.225443     0.50912     434.263   104.561      261.698   -75.439      313.73    -75.439      
1 1 1 29  13 9  o 14 1.66522      0.538852    478.429   98.6148      148.815   98.6148      119.72    -81.3852     
1 1 1 29  13 10 o 16 1.39524      0.448647    288.799   -163.165     14.3501   16.8347      121.365   16.8347      
1 1 1 29  13 11 o 3  2.19404      0.494464    148.172   -143.117     327.786   -143.117     106.303   -143.117     
1 1 1 29  13 12 o 11 2.11706      0.528374    275.199   -147.702     427.886   -147.702     110.391   -147.702     
1 1 1 29  15 0  o 17 0.321154     0.508976    444.691   146.482      169.605   -33.5181     265.865   -33.5181     
1 1 1 29  15 1  o 8  3.73661      0.625602    549.02    24.5843      484.778   24.5843      20.2981   24.5843      
1 1 1 29  15 2  o 14 0.976939     0.502258    104.198   -122.973     26.5993   -122.973     28.4935   57.0268      
1 1 1 29  15 3  o 1  2.07422      0.480569    279.793   -177.073     264.949   -177.073     21.2698   -177.073     
1 1 1 29  15 4  o 14 0.570136     0.390774    291.42    -176.188     56.3325   3.81175      143.024   3.81175      
1 1 1 29  15 5  o 13 0.634221     0.41385     244.037   8.81444      64.8253   -171.186     127.824   -171.186     
1 1 1 29  15 6  o 13 0.209808     0.503152    214.88    -58.3328     114.506   121.667      140.246   121.667      
1 1 1 29  15 7  o 14 0.154781     0.418572    218.001   -64.8053     63.2825   115.195      114.04    115.195      
1 1 1 29  15 8  o 3  1.01315      0.439648    113.798   102.399      93.8135   102.399      3.79437   102.399      
1 1 1 30  0  0  o 8  15.1309      0.895239    1097.03   -180         695.835   180          119.35    4.6893e-13   
1 1 1 30  0  1  o 4  5.49797      0.596743    690.592   180          71.8213   5.03488e-14  329.5     5.48728e-15  
1 1 1 30  0  2  o 3  2.77757      1.17612     574.597   180          ?         ?            ?         ?            
1 1 1 30  0  3  o 15 123.491      8.18109     2873.16   0            3707.75   0            641.108   0            
1 1 1 30  0  4  o 19 14.5208      1.76173     1324.39   180          948.382   180          81.0207   8.91503e-14  
1 1 1 30  0  5  o 5  25.4693      1.52766     960.434   180          1815.87   180          509.474   180          
1 1 1 30  0  6  o 3  20.664       1.41533     784.591   0            1442.42   0            400.127   0            
1 1 1 30  0  7  o 13 6.24205      0.689636    1417.37   180          149.061   180          497.564   9.11878e-15  
1 1 1 30  0  8  o 6  81.1071      3.44206     2341.69   180          3135.95   180          629.777   180          
1 1 1 30  0  9  o 12 4.21836      0.637285    530.005   0            37.971    180          232.745   180          
1 1 1 30  0  10 f 0  3.18666      0.6533      1201.75   0            629.215   180          811.386   180          
1 1 1 30  0  11 o 11 32.3113      2.11225     1374.95   0            1972.3    0            396.003   0            
1 1 1 30  0  12 o 19 7.16002      0.923171    1709.36   0            811.97    180          1166.58   180          
1 1 1 30  0  13 o 1  67.0141      3.73142     2268.3    180          2409.88   180          176.376   180          
1 1 1 30  0  14 o 9  -0.21493     0.394978    216.991   180          ?         ?            ?         ?            
1 1 1 30  0  15 o 13 4.04657      0.741316    13.2301   0            4.99108   0            3.47318   180          
1 1 1 30  0  16 o 18 11.7583      1.01963     297.998   0            473.552   0            101.125   0            
1 1 1 30  0  17 o 15 5.19205      0.743013    238.829   0            575.062   0            178.03    0            
1 1 1 30  0  18 o 14 9.27503      1.43702     740.426   180          964.133   180          155.219   180          
1 1 1 30  0  19 o 10 0.555158     0.555232    55.3194   180          ?         ?            ?         ?            
1 1 1 30  0  20 o 16 1.52601      0.693407    497.377   180          132.903   180          128.053   1.42992e-14  
1 1 1 30  0  21 o 5  4.84599      0.98866     457.384   180          721.823   180          189.239   180          
1 1 1 30  2  0  o 17 106.793      3.53447     2439.39   -66.3725     3177.57   -66.3725     553.306   -66.3725     
1 1 1 30  2  1  o 2  11.2584      1.84935     567.694   55.9033      316.899   55.9033      82.0478   -124.097     
1 1 1 30  2  2  o 1  18.3651      1.63181     1120.8    -128.571     891.94    -128.571     27.2816   51.4287      
1 1 1 30  2  3  o 1  48.9416      2.29386     1493.76   49.1908      2070.81   49.1908      407.996   49.1908      
1 1 1 30  2  4  o 10 21.4118      0.894267    1439.97   155.681      1056.1    155.681      71.8447   -24.3185     
1 1 1 30  2  5  o 16 32.5419      1.11941     673.184   150.038      2118.79   150.038      782.139   150.038      
1 1 1 30  2  6  o 9  10.2066      0.795914    811.241   -70.1203     588.304   -70.1203     35.5134   109.88       
1 1 1 30  2  7  o 7  45.988       2.24726     1933.45   0.526643     2059.59   0.526644     252.865   0.526644     
1 1 1 30  2  8  o 6  25.8087      1.12195     491.843   82.4412      1742.01   82.4412      673.839   82.4412      
1 1 1 30  2  9  o 18 63.884       2.02076     2433.64   109.846      2337.96   109.846      180.853   109.846      
1 1 1 30  2  10 o 13 30.5586      1.47329     1308.2    -145.267     1724.3    -145.267     315.205   -145.267     
1 1 1 30  2  11 o 19 62.1265      2.10357     868.434   25.505       3208.6    25.505       1227.15   25.505       
1 1 1 30  2  12 o 18 79.6898      2.84275     1749.69   133.372      3147.13   133.372      789.215   133.372      
1 1 1 30  2  13 o 12 7.23768      0.640202    715.343   -133.987     282.077   -133.987     183.765   46.0134      
1 1 1 30  2  14 o 11 21.9249      1.06716     898.803   62.7358      1391.3    62.7358      289.052   62.7358      
1 1 1 30  2  15 o 6  1.57213      0.505466    460.908   -59.0376     ?         ?            ?         ?            
1 1 1 30  2  16 o 12 6.19562      0.640887    543.724   167.019      100.266   167.019      198.134   -12.9809     
1 1 1 30  2  17 o 3  2.44722      0.505412    374.026   -126.76      ?         ?            ?         ?            
1 1 1 30  2  18 o 4  5.199        0.585424    292.876   -25.1875     452.356   -25.1875     98.6839   -25.1875     
1 1 1 30  2  19 o 16 1.01107      0.539603    191.697   -105.983     70.2389   74.0165      112.482   74.0165      
1 1 1 30  2  20 o 5  0.445939     0.397434    269.432   -5.16954     60.6581   174.83       135.087   174.83       
1 1 1 30  4  0  o 19 12.8681      0.733398    948.495   -107.189     715.598   -107.189     39.3347   72.8111      
1 1 1 30  4  1  o 11 35.9661      1.28054     2155.21   62.1432      1034.9    62.1432      381.803   -117.857     
1 1 1 30  4  2  o 19 99.9978      3.26352     2557.65   -173.349     3288.47   -173.349     582.99    -173.349     
1 1 1 30  4  3  o 9  5.79067      0.653111    481.073   83.3924      332.109   -96.6076     364.1     -96.6076     
1 1 1 30  4  4  o 7  14.8049      0.940622    1167.73   61.9782      866.485   61.9782      42.7973   -118.022     
1 1 1 30  4  5  o 10 5.61573      0.466448    855.517   83.6709      21.2472   -96.3291     355.912   -96.3291     
1 1 1 30  4  6  o 7  40.6298      1.54395     1701.98   1.09789      1994.67   1.0979       315.024   1.0979       
1 1 1 30  4  7  o 6  27.1971      1.21003     1486.52   16.6734      1271.48   16.6734      38.9344   16.6734      
1 1 1 30  4  8  o 3  27.9136      1.24024     781.912   -135.935     1809.07   -135.935     586.15    -135.935     
1 1 1 30  4  9  o 4  50.4917      2.15346     1445.03   -150.326     2460.88   -150.326     625.635   -150.326     
1 1 1 30  4  10 o 6  7.51165      0.657478    773.855   -25.4762     246.456   -25.4762     212.197   154.524      
1 1 1 30  4  11 o 10 8.35645      0.64931     739.065   -31.4484     74.479    -31.4484     293.077   148.552      
1 1 1 30  4  12 o 13 32.1428      1.46463     1379.95   159.556      1695.48   159.556      221.65    159.556      
1 1 1 30  4  13 o 6  15.5712      0.94924     406.683   23.8339      1092.34   23.8339      361.916   23.8339      
1 1 1 30  4  14 o 13 3.1412       0.538098    619.635   -73.5427     152.099   106.457      355.584   106.457      
1 1 1 30  4  15 o 16 6.90961      0.723614    571.777   163.73       245.921   163.73       136.935   -16.2696     
1 1 1 30  4  16 o 18 3.27859      0.524872    451.094   55.1279      27.4208   55.1279      193.276   -124.872     
1 1 1 30  4  17 o 10 0.874555     0.420506    277.448   -15.1174     234.083   164.883      241.018   164.883      
1 1 1 30  4  18 f 0  5.22161      0.568861    460.382   110.709      704.464   110.709      160.825   110.709      
1 1 1 30  4  19 o 16 1.88577      0.624468    356.575   67.0674      241.58    67.0674      19.733    -112.933     
1 1 1 30  4  20 o 14 0.44761      0.398207    420.326   32.6033      ?         ?            ?         ?            
1 1 1 30  6  0  o 4  10.2834      1.05733     402.483   -31.8679     594.389   -31.8679     134.4     -31.8679     
1 1 1 30  6  1  o 13 3.95789      0.448507    439.717   -108.446     26.0596   -108.446     164.291   71.5537      
1 1 1 30  6  2  o 10 13.4198      0.671693    502.795   -42.281      997.903   -42.281      296.907   -42.281      
1 1 1 30  6  3  o 14 8.74626      0.584295    414.271   10.5755      387.457   10.5755      27.701    10.5755      
1 1 1 30  6  4  o 2  4.85283      0.575062    1035.19   160.923      67.0912   160.923      381.451   -19.0772     
1 1 1 30  6  5  o 9  25.1165      1.09319     1715.5    -87.4993     1199.24   -87.4993     92.2006   92.5007      
1 1 1 30  6  6  o 13 30.3977      1.23805     1033.78   91.7779      1905.02   91.7779      529.732   91.7779      
1 1 1 30  6  7  o 11 13.7669      0.983706    1538.46   125.16       233.042   125.16       527.145   -54.8403     
1 1 1 30  6  8  o 18 21.0708      1.00646     1482.62   150.217      1010.79   150.217      133.07    -29.7832     
1 1 1 30  6  9  o 10 14.6651      1.01585     635.601   -17.313      798.97    -17.313      117.912   -17.313      
1 1 1 30  6  10 o 1  2.40588      0.472532    398.38    12.0997      330.667   -167.9       345.264   -167.9       
1 1 1 30  6  11 o 16 16.7089      0.890307    837.528   134.383      1075.97   134.383      157.657   134.383      
1 1 1 30  6  12 o 15 7.3671       0.640106    983.863   -169.09      35.3318   -169.09      427.167   10.9104      
1 1 1 30  6  13 o 18 13.0364      0.841411    570.086   -117.736     1166.78   -117.736     326.063   -117.736     
1 1 1 30  6  14 o 1  11.2479      0.782232    314.527   114.943      803.366   114.943      258.37    114.943      
1 1 1 30  6  15 f 0  13.7451      1.01628     519.103   -19.8188     1289.94   -19.8188     406.882   -19.8188     
1 1 1 30  6  16 o 7  5.17276      0.578793    272.032   32.5632      286.64    32.5632      22.1276   32.5632      
1 1 1 30  6  17 o 16 1.92308      0.469238    320.532   -100.677     132.934   -100.677     66.7951   79.3225      
1 1 1 30  6  18 o 8  0.361588     0.388679    446.983   -146.167     264.568   33.833       308.691   33.833       
1 1 1 30  6  19 o 1  2.89205      0.602576    294.699   6.27704      436.956   6.27704      106.455   6.27704      
1 1 1 30  8  0  o 1  18.9934      0.984403    2145.09   124.347      391.771   124.347      679.373   -55.6533     
1 1 1 30  8  1  o 16 7.71763      0.672604    789.188   39.8591      193.975   39.8591      226.695   -140.141     
1 1 1 30  8  2  o 13 46.55        1.65232     1820.89   -109.517     2083.91   -109.517     288.788   -109.517     
1 1 1 30  8  3  o 15 14.9346      0.866671    1071.26   -174.562     865.55    -174.562     15.8147   5.43761      
1 1 1 30  8  4  o 3  85.7399      3.54602     1945.88   40.2872      3321.89   40.2872      832.785   40.2872      
1 1 1 30  8  5  o 19 9.32996      0.744219    1238.25   -24.108      257.439   -24.108      408.453   155.892      
1 1 1 30  8  6  o 11 2.85822      0.491325    742.407   23.9722      219.445   -156.028     438.142   -156.028     
1 1 1 30  8  7  o 11 43.4065      2.11416     1398.13   131.849      2190.39   131.849      466.656   131.849      
1 1 1 30  8  8  o 7  11.1455      0.713443    1060.46   -95.0975     500.817   -95.0975     230.601   84.9025      
1 1 1 30  8  9  o 16 26.0477      1.1485      1164.46   -108.005     1573.54   -108.005     258.331   -108.005     
1 1 1 30  8  10 o 16 3.71073      0.541321    426.028   144.772      11.5748   -35.2282     198.296   -35.2282     
1 1 1 30  8  11 o 19 25.2439      1.22503     1576.24   113.889      1258.12   113.889      82.3479   -66.1112     
1 1 1 30  8  12 o 4  0.634189     0.519578    712.159   26.0223      ?         ?            ?         ?            
1 1 1 30  8  13 o 2  18.7266      1.02346     864.675   -79.9015     1346.42   -79.9015     276.497   -79.9015     
1 1 1 30  8  14 o 6  0.469702     0.392024    218.499   -125.014     ?         ?            ?         ?            
1 1 1 30  8  15 o 16 13.2269      0.875557    500.853   152.006      1417.99   152.006      493.526   152.006      
1 1 1 30  8  16 o 15 3.18012      0.62487     594.036   24.6231      368.864   24.6231      55.2954   -155.377     
1 1 1 30  8  17 o 15 0.975284     0.457528    49.149    165.408      19.8719   -14.5921     29.1341   -14.5921     
1 1 1 30  8  18 o 17 1.23412      0.532281    257.547   -138.463     154.393   -138.463     19.3124   41.5371      
1 1 1 30  10 0  o 14 21.0671      1.24126     1407.01   27.9348      931.888   27.9348      165.131   -152.065     
1 1 1 30  10 1  o 15 4.21954      0.520651    132.91    121.662      7.87805   -58.3379     63.7497   -58.3379     
1 1 1 30  10 2  o 1  6.87373      0.52775     603.094   174.933      231.045   174.933      156.93    -5.0672      
1 1 1 30  10 3  f 0  9.88648      0.625883    734.817   -91.0932     611.188   -91.0932     27.4954   88.9068      
1 1 1 30  10 4  o 15 4.89139      0.630279    683.161   -111.568     142.21    -111.568     239.117   68.4321      
1 1 1 30  10 5  o 14 25.5462      1.41269     1186.27   -49.7721     1412.03   -49.7721     167.664   -49.7721     
1 1 1 30  10 6  o 11 16.9634      0.900265    583.419   41.8913      1164.61   41.8913      318.249   41.8913      
1 1 1 30  10 7  o 2  0.88538      0.347982    569.265   66.1718      414.092   -113.828     463.973   -113.828     
1 1 1 30  10 8  o 4  24.4132      1.17297     1140.7    -121.216     1533.84   -121.216     251.939   -121.216     
1 1 1 30  10 9  o 14 1.49674      0.426993    123.825   -173.197     23.2219   6.80338      67.8322   6.80338      
1 1 1 30  10 10 o 1  0.888374     0.569544    410.776   -92.1821     280.457   87.8179      328.318   87.8179      
1 1 1 30  10 11 o 6  4.63648      0.87203     678.661   172.653      390.79    172.653      115.413   -7.34701     
1 1 1 30  10 12 o 16 0.347047     0.425239    496.841   42.7665      ?         ?            ?         ?            
1 1 1 30  10 13 o 5  3.13508      0.539674    323.226   67.6999      410.308   67.6999      67.8837   67.6999      
1 1 1 30  10 14 o 5  9.23895      0.710199    876.666   -145.594     897.471   -145.594     96.1142   -145.594     
1 1 1 30  10 15 o 10 -0.164723    0.390806    328.473   44.8748      ?         ?            ?         ?            
1 1 1 30  10 16 o 3  0.329605     0.581535    263.999   46.1498      0.128881  46.1498      99.2669   -133.85      
1 1 1 30  12 0  o 17 5.02638      0.535076    773.806   -168.107     228.452   -168.107     234.902   11.8931      
1 1 1 30  12 1  o 11 0.435723     0.317748    456.647   125.144      ?         ?            ?         ?            
1 1 1 30  12 2  o 10 2.35466      0.45338     474.528   34.6681      25.0238   34.6681      201.901   -145.332     
1 1 1 30  12 3  o 5  9.73055      0.695102    647.943   -37.075      878.715   -37.075      145.933   -37.075      
1 1 1 30  12 4  o 14 1.02939      0.346234    529.799   56.647       287.074   -123.353     384.36    -123.353     
1 1 1 30  12 5  o 7  3.58534      0.481047    187.075   -52.3856     110.541   -52.3856     30.1825   127.614      
1 1 1 30  12 6  o 10 1.78385      0.473882    127.688   -154.62      27.7317   -154.62      44.6979   25.3803      
1 1 1 30  12 7  o 2  0.58369      0.457938    348.193   29.8732      188.078   -150.127     253.549   -150.127     
1 1 1 30  12 8  o 14 4.84107      0.576302    562.343   2.1649       525.744   2.1649       8.55337   2.1649       
1 1 1 30  12 9  o 9  -0.507848    0.387075    222.336   -124.491     193.91    55.5092      194.551   55.5092      
1 1 1 30  12 10 o 6  1.16011      0.443229    235.141   99.1357      21.6382   99.1357      87.9498   -80.8643     
1 1 1 30  12 11 o 16 1.0943       0.462035    77.7872   -138.945     39.8927   -138.945     11.3671   41.0554      
1 1 1 30  12 12 f 0  1.39125      0.459697    131.298   -87.7035     113.405   -87.7035     5.13587   -87.7035     
1 1 1 30  12 13 o 12 0.341696     0.448366    401.119   6.5268       138.915   -173.473     223.001   -173.473     
1 1 1 30  14 0  o 16 1.41469      0.446028    208.138   -143.811     49.4303   -143.811     68.2827   36.1889      
1 1 1 30  14 1  o 9  1.25894      0.694518    391.243   94.5577      18.4513   -85.4423     182.897   -85.4423     
1 1 1 30  14 2  o 16 2.71334      0.451296    698.074   56.184       184.177   56.184       214.489   -123.816     
1 1 1 30  14 3  o 1  0.865842     0.433503    367.092   58.8924      73.0674   -121.108     195.249   -121.108     
1 1 1 30  14 4  o 1  0.076997     0.341864    60.7305   -156.505     50.0387   23.4953      50.7383   23.4953      
1 1 1 30  14 5  o 18 2.54509      0.471853    459.024   111.738      340.195   111.738      19.6341   -68.262      
1 1 1 30  14 6  o 15 -0.0282545   0.321695    599.579   144.866      ?         ?            ?         ?            
1 1 1 30  14 7  o 17 3.48245      0.581644    432.91    41.3233      527.478   41.3233      92.2418   41.3233      
1 1 1 30  14 8  o 16 3.98624      0.621648    318.209   -17.4779     685.257   -17.4779     218.181   -17.4779     
1 1 1 30  14 9  o 3  1.46087      0.487881    310.467   129.648      236.172   129.648      1.00271   -50.3517     
1 1 1 30  14 10 o 13 -0.15547     0.362999    343.774   89.397       218.685   -90.603      238.194   -90.603      
1 1 1 30  16 0  o 13 -0.188051    0.385117    338.808   -93.8065     149.636   86.1935      203.966   86.1935      
1 1 1 30  16 1  o 9  0.957309     0.408757    185.268   136.474      91.7103   136.474      24.3376   -43.5262     
1 1 1 30  16 2  o 17 0.223151     0.432864    176.7     51.4413      ?         ?            ?         ?            
1 1 1 30  16 3  o 17 1.42421      0.652046    324.991   23.1486      182.877   23.1486      30.4485   -156.851     
1 1 1 31  1  0  o 6  31.174       2.26873     1378.16   157.68       1418.02   157.68       124.057   157.68       
1 1 1 31  1  1  o 12 80.6781      3.8274      3049.53   -33.1286     2255.25   -33.1286     164.086   146.871      
1 1 1 31  1  2  o 17 24.2936      1.68901     956.341   -145.089     1391.59   -145.089     292.077   -145.089     
1 1 1 31  1  3  o 9  12.1522      0.564858    816.579   -160.381     503.317   -160.381     91.1952   19.6191      
1 1 1 31  1  4  o 14 53.1831      1.66384     1712.99   49.1765      2368.67   49.1765      471.089   49.1765      
1 1 1 31  1  5  o 19 5.9001       0.551726    974.867   -82.7054     116.101   -82.7054     343.17    97.2946      
1 1 1 31  1  6  o 9  28.752       1.09361     1227.97   173.243      1732.41   173.243      367.555   173.243      
1 1 1 31  1  7  o 12 26.3151      1.0265      1576.18   95.3274      1231.71   95.3274      17.239    -84.6726     
1 1 1 31  1  8  o 10 39.8911      1.49055     429.506   -116.064     2233.84   -116.064     944.698   -116.064     
1 1 1 31  1  9  o 5  6.44527      0.658941    952.851   76.0112      140.859   76.0112      316.918   -103.989     
1 1 1 31  1  10 o 12 46.86        2.108       1798.85   78.4142      2056.33   78.4142      274.611   78.4142      
1 1 1 31  1  11 o 14 11.185       0.761466    927.297   30.0257      521.039   30.0257      143.019   -149.974     
1 1 1 31  1  12 o 11 48.9477      2.13482     774.471   -161.64      2670.45   -161.64      987.611   -161.64      
1 1 1 31  1  13 o 4  23.5489      1.27893     1296.72   30.3329      1094.36   30.3329      41.6637   -149.667     
1 1 1 31  1  14 o 16 20.8645      1.0135      1404.65   71.6056      989.047   71.6056      140.686   -108.394     
1 1 1 31  1  15 o 8  1.8781       0.42747     346.751   162.633      ?         ?            ?         ?            
1 1 1 31  1  16 o 19 9.50204      0.757273    570.501   104.668      500.659   104.668      10.3527   -75.3317     
1 1 1 31  1  17 o 6  23.6521      1.29668     1109.67   50.1379      1434.11   50.1379      210.319   50.1379      
1 1 1 31  1  18 o 13 4.53206      0.68153     347.441   -69.3115     602.298   -69.3115     150.526   -69.3115     
1 1 1 31  1  19 o 19 0.569161     0.444802    78.7134   133.397      45.9083   -46.6028     54.6204   -46.6028     
1 1 1 31  1  20 f 0  4.67754      0.634912    519.89    173.136      605.376   173.137      100.973   173.137      
1 1 1 31  3  0  o 8  105.163      4.26698     2342.57   116.744      3262.36   116.744      645.061   116.744      
1 1 1 31  3  1  f 0  5.97109      0.800878    98.1371   141.184      ?         ?            ?         ?            
1 1 1 31  3  2  o 4  132.865      3.60508     2392.01   7.0514       4273.25   7.0514       1137.73   7.0514       
1 1 1 31  3  3  o 11 38.5802      1.49821     1769.47   131.704      1664.18   131.704      98.6431   131.704      
1 1 1 31  3  4  o 13 65.9172      2.13522     1960.53   -86.8806     2704.69   -86.8806     547.762   -86.8806     
1 1 1 31  3  5  f 0  2.24267      0.348122    1091.06   -139.185     ?         ?            ?         ?            
1 1 1 31  3  6  o 4  2.02018      0.382214    474.26    -109.514     323.712   70.4857      352.441   70.4857      
1 1 1 31  3  7  o 7  45.4785      1.54975     1670.99   164.726      2199.24   164.726      430.019   164.726      
1 1 1 31  3  8  o 8  24.1518      1.04882     959.963   -112.433     1591.26   -112.433     407.29    -112.433     
1 1 1 31  3  9  o 18 7.95426      0.789362    347.437   -177.905     318.589   -177.905     15.2873   -177.905     
1 1 1 31  3  10 o 8  22.543       1.13653     1833.91   55.2705      843.954   55.2705      365.131   -124.729     
1 1 1 31  3  11 o 16 13.9515      0.755108    326.238   134.674      530.449   134.674      120.37    134.674      
1 1 1 31  3  12 o 16 59.146       2.28478     1363.85   -74.1188     2635.5    -74.1188     700.058   -74.1188     
1 1 1 31  3  13 o 14 33.9014      1.40434     721.355   175.523      2124.94   175.523      735.273   175.523      
1 1 1 31  3  14 o 2  3.10315      0.478182    487.935   -151.131     41.5209   28.869       240.92    28.869       
1 1 1 31  3  15 o 1  4.44559      0.625286    383.291   139.432      34.6701   -40.5676     191.167   -40.5676     
1 1 1 31  3  16 o 6  2.03733      0.454262    410.051   114.618      ?         ?            ?         ?            
1 1 1 31  3  17 o 2  9.32745      1.04376     664.729   -166.758     850.363   -166.758     125.883   -166.758     
1 1 1 31  3  18 o 7  1.78815      0.447433    543.677   -123.421     114.419   -123.421     171.317   56.5787      
1 1 1 31  3  19 o 18 3.98442      0.522874    279.197   115.601      497.217   115.601      138.126   115.601      
1 1 1 31  3  20 o 16 -0.131948    0.462346    251.132   -117.904     ?         ?            ?         ?            
1 1 1 31  5  0  o 5  8.95288      0.891884    1324.63   -9.97989     270.015   -9.97989     407.988   170.02       
1 1 1 31  5  1  o 7  6.0512       0.829364    1263.11   -126.176     724.159   53.8239      877.716   53.8239      
1 1 1 31  5  2  o 11 5.24462      0.443554    927.834   177.167      91.9338   177.167      330.653   -2.83327     
1 1 1 31  5  3  o 15 0.509811     0.232409    279.978   9.66916      ?         ?            ?         ?            
1 1 1 31  5  4  o 7  63.053       2.2245      1407.91   -112.657     3027.52   -112.657     948.871   -112.657     
1 1 1 31  5  5  o 7  35.5229      1.32555     1436.49   -104.636     1886.36   -104.636     367.557   -104.636     
1 1 1 31  5  6  o 9  4.30023      0.568314    381.621   0.497906     158.637   -179.502     233.193   -179.502     
1 1 1 31  5  7  o 8  2.04764      0.409175    785.34    82.7902      457.252   -97.2098     550.557   -97.2098     
1 1 1 31  5  8  o 12 43.3031      1.64953     1745.13   3.43875      1961.45   3.43875      246.015   3.43875      
1 1 1 31  5  9  f 0  69.1932      2.20536     2162.33   40.6334      2480.02   40.6334      300.136   40.6334      
1 1 1 31  5  10 o 6  45.2562      1.73848     1553.73   -136.488     2035.79   -136.488     323.488   -136.488     
1 1 1 31  5  11 o 9  29.6231      1.32224     796.248   110.013      1764.97   110.013      521.386   110.013      
1 1 1 31  5  12 o 10 83.5302      2.68905     2370      -27.4107     2827.52   -27.4107     339.185   -27.4107     
1 1 1 31  5  13 o 4  6.58325      0.583271    921.421   122.86       228.342   -57.1404     529.916   -57.1404     
1 1 1 31  5  14 o 14 4.80124      1.00486     128.99    129.971      107.723   129.971      4.6024    -50.0291     
1 1 1 31  5  15 o 5  2.07827      0.488       592.479   -90.4845     ?         ?            ?         ?            
1 1 1 31  5  16 o 14 16.82        0.932718    676.648   -17.2663     1528.32   -17.2663     457.519   -17.2663     
1 1 1 31  5  17 o 12 0.51169      0.385648    483.439   151.599      ?         ?            ?         ?            
1 1 1 31  5  18 o 5  0.953769     0.454456    112.716   -82.2228     ?         ?            ?         ?            
1 1 1 31  5  19 o 19 1.42466      0.428893    260.799   179.474      239.59    179.474      18.9644   179.474      
1 1 1 31  7  0  o 1  18.9258      0.90193     715.603   113.354      1258.91   113.354      342.439   113.354      
1 1 1 31  7  1  o 1  29.636       1.47287     1608.67   -113.714     1403.48   -113.714     55.4034   -113.714     
1 1 1 31  7  2  o 8  92.4957      3.08448     2142.12   -95.2492     3120.53   -95.2492     696.233   -95.2492     
1 1 1 31  7  3  o 6  22.1047      1.19727     1403.59   75.649       1097.31   75.649       21.7288   -104.351     
1 1 1 31  7  4  o 8  2.62202      0.511327    154.762   -32.4701     44.1171   147.53       85.7342   147.53       
1 1 1 31  7  5  o 2  9.26677      0.879245    938.59    6.81248      326.172   6.81248      230.114   -173.188     
1 1 1 31  7  6  o 9  9.00531      0.931658    1567.32   -61.7232     69.5537   -61.7232     636.935   118.277      
1 1 1 31  7  7  o 13 17.3042      1.07461     630.609   91.8751      851.652   91.8751      148.917   91.8751      
1 1 1 31  7  8  o 8  4.01813      0.49372     411.517   -139.039     57.947    40.9614      213.427   40.9614      
1 1 1 31  7  9  o 10 38.2926      1.68384     868.067   -127.781     2313.94   -127.781     763.385   -127.781     
1 1 1 31  7  10 o 15 15.5136      0.759926    860.121   -173.908     1024.51   -173.908     121.958   -173.908     
1 1 1 31  7  11 o 9  0.84034      0.389754    490.442   119.214      ?         ?            ?         ?            
1 1 1 31  7  12 o 7  6.27609      0.962036    384.045   -67.431      32.0017   -67.431      157.458   112.569      
1 1 1 31  7  13 o 8  3.00639      0.52953     500.993   169.738      158.584   169.738      149.163   -10.2622     
1 1 1 31  7  14 o 19 16.24        0.88833     977.033   -94.7286     1031.45   -94.7286     67.6133   -94.7286     
1 1 1 31  7  15 o 15 17.5721      0.953177    261.899   -39.6944     1660.69   -39.6944     713.347   -39.6944     
1 1 1 31  7  16 o 15 4.63514      0.610435    170.194   138.647      556.557   138.647      206.997   138.647      
1 1 1 31  7  17 o 5  1.36998      0.46263     217.139   -15.3466     140.563   164.653      156.37    164.653      
1 1 1 31  7  18 o 8  -0.636671    0.34468     216.757   151.355      ?         ?            ?         ?            
1 1 1 31  9  0  o 16 8.13924      0.636196    902.878   -33.1727     288.046   -33.1727     246.001   146.827      
1 1 1 31  9  1  o 12 40.1309      1.52859     997.485   -44.8918     2212.11   -44.8918     672.324   -44.8918     
1 1 1 31  9  2  o 11 5.44978      0.632231    558.549   25.5765      100.288   25.5765      194.932   -154.423     
1 1 1 31  9  3  o 19 15.4826      0.832704    400.776   1.51612      626.416   1.51612      135.49    1.51612      
1 1 1 31  9  4  o 15 1.17261      0.374492    203.506   94.9981      155.276   -85.0019     168.838   -85.0019     
1 1 1 31  9  5  o 9  20.9092      1.06445     552.912   79.9789      1341.18   79.9789      420.696   79.9789      
1 1 1 31  9  6  o 19 10.065       0.816101    403.083   -12.1459     588.211   -12.1459     111.121   -12.1459     
1 1 1 31  9  7  o 17 50.5423      2.02959     1925.3    -27.1544     2048.65   -27.1544     150.693   -27.1544     
1 1 1 31  9  8  o 1  6.78007      0.549116    330.142   82.1281      200.268   82.1281      49.1366   -97.8719     
1 1 1 31  9  9  o 19 22.1998      1.32473     960.379   -99.6821     1520.69   -99.6821     327.091   -99.6821     
1 1 1 31  9  10 o 6  1.99552      0.49233     863.019   -31.2672     234.8     148.733      508.254   148.733      
1 1 1 31  9  11 o 6  4.89131      0.673856    391.701   -56.4208     487.515   -56.4208     64.6953   -56.4208     
1 1 1 31  9  12 o 4  9.31893      0.689568    853.793   150.577      683.613   150.577      49.5645   -29.4232     
1 1 1 31  9  13 o 5  1.11595      0.474857    314.521   134.169      98.606    -45.8314     190.116   -45.8314     
1 1 1 31  9  14 o 3  1.07973      0.465839    95.8505   64.2455      27.0137   -115.754     54.1015   -115.754     
1 1 1 31  9  15 o 2  -0.151837    0.373042    164.126   -107.657     ?         ?            ?         ?            
1 1 1 31  9  16 o 14 0.859553     0.562354    211.679   -100.405     151.955   79.5953      158.421   79.5953      
1 1 1 31  9  17 o 5  1.04512      0.575369    167.062   -35.1927     24.0504   144.807      74.6318   144.807      
1 1 1 31  11 0  f 0  1.54652      0.393156    275.901   11.721       119.56    -168.279     184.891   -168.279     
1 1 1 31  11 1  o 19 19.1692      0.942371    1424.94   42.501       981.088   42.501       155.067   -137.499     
1 1 1 31  11 2  o 18 18.3483      0.913359    787.916   -106.538     1314.7    -106.538     300.836   -106.538     
1 1 1 31  11 3  o 4  36.5907      1.61952     1642.63   -155.144     1743.35   -155.144     129.625   -155.144     
1 1 1 31  11 4  o 11 0.368326     0.39047     617.407   61.9477      ?         ?            ?         ?            
1 1 1 31  11 5  o 2  3.11045      0.516436    412.254   133.754      19.4429   133.754      176.342   -46.246      
1 1 1 31  11 6  o 12 7.57752      0.698576    676.813   -8.12427     659.94    -8.12427     23.5365   -8.12427     
1 1 1 31  11 7  o 6  3.15092      0.523635    402.035   175.356      92.3443   175.356      136.978   -4.64415     
1 1 1 31  11 8  o 14 6.33262      0.639724    535.98    169.342      652.622   169.342      80.6106   169.342      
1 1 1 31  11 9  o 7  1.93419      0.866638    517.248   175.678      3.88585   175.678      234.891   -4.32179     
1 1 1 31  11 10 f 0  6.9306       0.68714     613.562   26.3809      761.496   26.3809      105.093   26.3809      
1 1 1 31  11 11 o 16 -0.0480126   0.376676    238.313   112.88       ?         ?            ?         ?            
1 1 1 31  11 12 o 17 3.61126      0.571288    637.753   19.7938      401.812   19.7938      60.0779   -160.206     
1 1 1 31  11 13 o 13 0.84071      0.510458    266.99    -163.82      134.101   16.1795      172.527   16.1795      
1 1 1 31  11 14 o 2  0.798789     0.479284    125.418   113.88       37.9128   113.88       29.435    -66.1197     
1 1 1 31  11 15 o 7  0.0722581    0.679218    166.897   168.085      76.4872   -11.9155     101.283   -11.9155     
1 1 1 31  13 0  o 13 1.33701      0.476745    326.211   34.5935      62.2228   -145.406     180.68    -145.406     
1 1 1 31  13 1  o 19 3.18319      0.589615    362.122   -68.4972     294.075   -68.4972     19.1029   111.503      
1 1 1 31  13 2  o 18 5.0507       0.586333    730.524   -64.8819     385.694   -64.8819     142.328   115.118      
1 1 1 31  13 3  o 16 3.12741      0.464669    350.004   -55.9378     222.697   -55.9378     48.9292   124.062      
1 1 1 31  13 4  o 18 1.62609      0.421581    360.891   26.6692      65.1418   26.6692      131.692   -153.331     
1 1 1 31  13 5  o 15 0.955059     0.421562    18.4592   -109.393     2.20969   70.6074      9.39771   70.6074      
1 1 1 31  13 6  o 16 2.52824      0.459432    434.965   103.623      298.723   103.623      41.6903   -76.3774     
1 1 1 31  13 7  o 2  1.03761      0.44242     254.113   -152.902     24.6924   27.0977      120.449   27.0977      
1 1 1 31  13 8  o 14 1.21504      0.490584    314.586   -33.6547     37.1302   -33.6547     110.539   146.345      
1 1 1 31  13 9  o 15 1.20442      0.517895    628.878   -23.4607     61.26     156.539      281.261   156.539      
1 1 1 31  13 10 o 6  2.20103      0.477107    390.453   -11.9736     354.346   -11.9736     24.2542   -11.9736     
1 1 1 31  13 11 o 11 0.734208     0.426265    384.671   45.6088      26.081    45.6088      134.119   -134.391     
1 1 1 31  13 12 o 3  1.51603      0.522375    298.383   39.078       275.706   39.078       24.9136   39.078       
1 1 1 31  15 0  o 2  0.756307     0.667153    202.928   96.8474      11.4582   96.8474      75.5247   -83.1526     
1 1 1 31  15 1  o 12 1.84185      0.522391    398.467   -92.4731     238.699   -92.4731     39.41     87.5269      
1 1 1 31  15 2  o 16 -0.0339168   0.308706    200.599   100.046      149.819   -79.9536     154.352   -79.9536     
1 1 1 31  15 3  o 10 1.26705      0.509807    249.165   -49.1198     102.638   -49.1198     46.7379   130.88       
1 1 1 31  15 4  o 4  -0.887541    0.297215    254.918   31.1229      187.103   -148.877     193.19    -148.877     
1 1 1 31  15 5  f 0  1.41321      0.463865    477.173   162.085      141.629   162.085      113.761   -17.9155     
1 1 1 31  15 6  o 14 0.778472     0.485826    244.288   -5.58953     80.52     -5.58953     52.4889   174.41       
1 1 1 31  15 7  o 14 0.446953     0.508751    64.3606   -26.1692     11.6382   -26.1692     18.327    153.831      
1 1 1 32  0  0  o 5  60.0863      5.4096      1270.18   1.47697e-13  2962.37   -5.36526e-14 943.13    -1.68523e-13 
1 1 1 32  0  1  o 1  55.1085      4.71805     1707.01   180          2667.79   180          612.457   180          
1 1 1 32  0  2  o 11 22.0387      0.987922    715.318   0            1560.38   0            479.042   0            
1 1 1 32  0  3  o 2  2.31795      0.47521     1344.66   180          ?         ?            ?         ?            
1 1 1 32  0  4  o 14 3.03676      0.51826     231.641   180          56.4814   1.68461e-14  124.283   3.82792e-15  
1 1 1 32  0  5  o 14 35.0789      1.74673     1189.85   0            2315.33   0            670.211   0            
1 1 1 32  0  6  o 5  2.01488      0.431592    1165.02   180          ?         ?            ?         ?            
1 1 1 32  0  7  o 16 4.80649      0.625694    1034.27   0            48.4645   0            390.481   180          
1 1 1 32  0  8  o 11 11.676       1.04967     238.997   0            366.17    0            87.071    0            
1 1 1 32  0  9  o 15 8.95685      1.00879     592.883   180          577.156   180          46.1438   180          
1 1 1 32  0  10 o 10 4.50185      0.914413    532.937   180          60.5538   180          194.841   9.1974e-15   
1 1 1 32  0  11 o 16 22.1877      1.89621     677.767   180          1154.24   180          279.902   180          
1 1 1 32  0  12 o 11 0.640461     0.511042    56.7852   0            ?         ?            ?         ?            
1 1 1 32  0  13 o 10 23.9397      1.78623     1284.19   180          1514.3    180          174       180          
1 1 1 32  0  14 f 0  22.7081      1.78074     1304.29   0            1413.64   0            117.624   0            
1 1 1 32  0  15 f 0  9.58377      0.942525    247.994   0            253.286   0            14.506    0            
1 1 1 32  0  16 o 17 0.567142     0.537756    447.91    0            ?         ?            ?         ?            
1 1 1 32  0  17 o 2  1.1048       0.89992     322.586   180          179.724   4.43522e-15  236.526   1.68505e-15  
1 1 1 32  0  18 o 9  0.493933     0.578467    246.165   0            ?         ?            ?         ?            
1 1 1 32  0  19 o 13 2.96721      0.773423    467.347   0            436.408   0            31.6444   0            
1 1 1 32  0  20 o 6  2.82098      0.800878    393.695   0            537.247   0            116.896   0            
1 1 1 32  2  0  o 11 46.4358      2.11032     1771.74   -179.351     1877.38   -179.351     191.256   -179.351     
1 1 1 32  2  1  o 14 30.2777      1.38051     1378.07   60.9118      1325.27   60.9118      82.9209   60.9118      
1 1 1 32  2  2  o 11 10.3031      1.20854     617.153   -96.0857     318.159   83.9143      417.476   83.9143      
1 1 1 32  2  3  o 17 33.4377      1.29074     1373.75   -74.1672     1484.66   -74.1672     171.274   -74.1672     
1 1 1 32  2  4  o 10 31.5368      1.38228     1128.57   128.217      1749.64   128.217      410.314   128.217      
1 1 1 32  2  5  o 13 35.3254      1.26907     1670.37   77.734       1775.45   77.734       208.267   77.734       
1 1 1 32  2  6  o 4  88.1849      2.77933     2501.44   -179.94      2946.52   -179.94      466.593   -179.94      
1 1 1 32  2  7  o 2  4.59687      0.615055    603.361   -159.102     92.4875   -159.102     195.476   20.8979      
1 1 1 32  2  8  o 12 3.18637      0.433911    894.361   -43.3682     517.971   136.632      620.018   136.632      
1 1 1 32  2  9  o 3  31.9688      1.55891     1661.1    121.204      1552.65   121.204      90.2445   121.204      
1 1 1 32  2  10 o 8  80.8069      2.51231     1608.49   -164.501     3402.23   -164.501     1013.33   -164.501     
1 1 1 32  2  11 o 14 43.6977      1.92012     1055.67   -123.09      2062.15   -123.09      563.564   -123.09      
1 1 1 32  2  12 o 19 44.6953      1.80377     1597.15   8.71599      2096.28   8.71599      325.403   8.71599      
1 1 1 32  2  13 o 13 14.1404      0.89023     622.43    91.5405      957.059   91.5405      196.11    91.5405      
1 1 1 32  2  14 o 17 22.6727      1.12474     851.836   -153.976     1597.92   -153.976     414.544   -153.976     
1 1 1 32  2  15 o 7  6.52991      0.694614    519.217   -149.202     513.844   -149.202     21.5953   -149.202     
1 1 1 32  2  16 o 10 8.47453      0.804793    407.154   -45.8477     397.477   -45.8477     11.9929   -45.8477     
1 1 1 32  2  17 o 13 2.7333       0.532942    625.327   74.5536      43.5769   74.5536      260.314   -105.446     
1 1 1 32  2  18 o 6  2.20703      0.546893    162.053   157.245      135.899   157.245      0.373531  -22.755      
1 1 1 32  2  19 o 10 6.02233      0.788776    235.308   96.1787      769.73    96.1787      291.641   96.1787      
1 1 1 32  2  20 o 3  0.643315     0.433746    376.371   12.6617      155.511   -167.338     221.355   -167.338     
1 1 1 32  4  0  o 17 62.1482      2.39167     2456.64   177.739      1993.67   177.739      21.022    -2.26108     
1 1 1 32  4  1  o 15 81.4669      2.5423      2155.1    -35.2866     3018.95   -35.2866     620.354   -35.2866     
1 1 1 32  4  2  o 1  19.6823      0.91692     1114.31   79.7181      1036.21   79.7181      61.2528   79.7181      
1 1 1 32  4  3  o 17 49.1414      2.16854     1483.63   -145.361     2251.53   -145.361     522.28    -145.361     
1 1 1 32  4  4  o 12 8.01275      0.550673    550.735   -148.955     525.575   -148.955     40.6102   -148.955     
1 1 1 32  4  5  o 5  7.55474      0.753112    1123.75   -84.8608     175.509   -84.8608     362.876   95.1392      
1 1 1 32  4  6  o 8  83.5477      2.87924     2567.75   120.124      2848.05   120.124      394.206   120.124      
1 1 1 32  4  7  o 2  38.892       1.5895      1702.78   -138.726     1901.68   -138.726     260.803   -138.726     
1 1 1 32  4  8  o 3  0.68428      0.369666    571.677   -134.402     434.225   45.5982      454.07    45.5982      
1 1 1 32  4  9  o 7  0.866458     0.328116    983.421   -13.7793     ?         ?            ?         ?            
1 1 1 32  4  10 o 14 2.68241      0.48136     791.521   -163.302     ?         ?            ?         ?            
1 1 1 32  4  11 f 0  46.2052      1.7586      1109.16   -20.7625     2356.32   -20.7625     677.087   -20.7625     
1 1 1 32  4  12 o 13 52.0826      1.66154     1451.2    124.358      2471.39   124.358      576.799   124.358      
1 1 1 32  4  13 f 0  8.59464      0.794373    549.756   -81.3464     602.028   -81.3464     52.6748   -81.3464     
1 1 1 32  4  14 f 0  0.519697     0.440029    180.243   -88.8645     125.888   91.1355      144.408   91.1355      
1 1 1 32  4  15 o 6  5.20878      0.590608    518.573   -129.242     404.546   -129.242     34.8584   50.7577      
1 1 1 32  4  16 o 17 6.08711      0.628465    608.243   -144.096     299.404   -144.096     128.026   35.9042      
1 1 1 32  4  17 o 5  15.5663      0.966924    631.038   48.6913      1431.1    48.6913      441.076   48.6913      
1 1 1 32  4  18 o 1  1.8194       0.451485    187.081   -112.239     98.7956   -112.239     26.2514   67.7607      
1 1 1 32  4  19 o 16 2.65807      0.684941    366.438   -89.8655     144.392   90.1345      215.033   90.1345      
1 1 1 32  4  20 o 2  -0.402399    0.269614    148.1     -115.85      ?         ?            ?         ?            
1 1 1 32  6  0  o 9  7.34537      0.599305    1168.88   173.669      231.129   173.669      353.82    -6.33117     
1 1 1 32  6  1  o 5  25.7207      1.2458      2100.9    78.8118      896.688   78.8118      394.041   -101.188     
1 1 1 32  6  2  o 3  22.3741      1.12829     1271.31   132.213      1384.69   132.213      183.036   132.213      
1 1 1 32  6  3  o 12 19.2489      1.06116     1291.61   -63.8492     1105.71   -63.8492     34.7005   -63.8492     
1 1 1 32  6  4  o 7  4.91365      0.485953    768.479   -146.093     113.272   -146.093     253.426   33.9067      
1 1 1 32  6  5  o 18 5.93794      0.456723    482.771   16.6415      221.021   16.6415      86.6611   -163.359     
1 1 1 32  6  6  o 11 10.8346      0.886441    302.868   -39.5768     416.271   -39.5768     81.9795   -39.5768     
1 1 1 32  6  7  o 5  23.6182      1.30219     1857.01   -21.8136     846.854   -21.8136     370.386   158.186      
1 1 1 32  6  8  o 17 33.599       1.43525     2235.58   11.9621      1120.15   11.9621      422.233   -168.038     
1 1 1 32  6  9  f 0  0.939036     0.357216    8.78282   128.348      ?         ?            ?         ?            
1 1 1 32  6  10 o 13 40.6113      1.43147     482.59    68.8672      1860.01   68.8672      710.973   68.8672      
1 1 1 32  6  11 o 18 29.1444      1.32056     942.006   -93.8345     1840.71   -93.8345     493.404   -93.8345     
1 1 1 32  6  12 o 15 16.1458      0.892536    889.381   84.7599      1119.23   84.7599      158.327   84.7599      
1 1 1 32  6  13 o 12 12.1335      1.08242     672.809   20.8037      996.985   20.8037      193.73    20.8037      
1 1 1 32  6  14 o 14 0.609355     0.445569    242.231   -41.7031     ?         ?            ?         ?            
1 1 1 32  6  15 o 18 7.04851      0.682003    736.263   -111.49      667.428   -111.49      1.59161   68.5098      
1 1 1 32  6  16 o 18 2.78552      0.521004    167.453   -173.914     277.113   -173.914     65.9731   -173.914     
1 1 1 32  6  17 o 1  2.51839      0.482702    280.047   46.0967      204.613   -133.903     215.584   -133.903     
1 1 1 32  6  18 o 19 6.20789      0.62824     592.208   103.875      815.547   103.875      176.555   103.875      
1 1 1 32  6  19 o 9  0.065835     0.426064    461.997   -102.978     ?         ?            ?         ?            
1 1 1 32  8  0  o 10 28.8526      1.43545     2266.72   4.31568      799.026   4.31568      540.159   -175.684     
1 1 1 32  8  1  o 7  13.2081      0.773769    1089.48   -167.53      280.936   -167.53      314.187   12.4697      
1 1 1 32  8  2  o 13 33.5035      1.35895     1010.6    85.2574      1993.16   85.2574      570.572   85.2574      
1 1 1 32  8  3  o 5  8.49455      0.691232    1109.26   2.10608      80.4623   2.10608      433.711   -177.894     
1 1 1 32  8  4  f 0  5.59628      0.598926    122.496   115.407      52.8005   115.407      26.7935   -64.5929     
1 1 1 32  8  5  o 13 57.46        1.9302      1425.34   178.156      2717.81   178.156      729.242   178.156      
1 1 1 32  8  6  o 2  16.6359      0.873303    1031.79   67.8644      945.363   67.8644      9.90921   67.8644      
1 1 1 32  8  7  o 11 16.9043      1.31193     901.192   -27.0266     1080.67   -27.0266     132.139   -27.0266     
1 1 1 32  8  8  o 12 7.63438      0.64808     315.689   -25.4698     354.05    -25.4698     33.6715   -25.4698     
1 1 1 32  8  9  o 16 8.90936      0.596964    508.816   1.61365      616.422   1.61365      77.9147   1.61365      
1 1 1 32  8  10 o 12 2.02075      0.477452    927.209   -55.8957     456.498   124.104      646.551   124.104      
1 1 1 32  8  11 o 16 35.8193      1.97011     1315.04   -80.3641     1949.22   -80.3641     379.2     -80.3641     
1 1 1 32  8  12 o 16 14.3218      0.871158    837.594   108.902      1068.62   108.902      151.24    108.902      
1 1 1 32  8  13 o 16 7.98663      0.653537    630.885   72.1315      667.757   72.1315      45.006    72.1315      
1 1 1 32  8  14 o 9  0.878635     0.416999    279.811   -18.5785     94.3899   161.421      171.436   161.421      
1 1 1 32  8  15 o 18 1.08717      0.518219    215.913   -95.2463     125.068   84.7537      152.591   84.7537      
1 1 1 32  8  16 o 19 2.51003      0.541125    476.646   -112.542     252.73    -112.542     62.5777   67.4575      
1 1 1 32  8  17 o 6  0.253272     0.539005    197.236   -38.0536     ?         ?            ?         ?            
1 1 1 32  10 0  o 19 11.4574      0.727948    673.358   -132.478     683.186   -132.478     37.1588   -132.478     
1 1 1 32  10 1  o 18 19.4738      0.984717    1309.11   -134.273     1001.26   -134.273     92.3467   45.7269      
1 1 1 32  10 2  o 2  8.38927      0.633591    245.311   125.685      342.763   125.685      60.0679   125.685      
1 1 1 32  10 3  o 16 13.1804      0.902179    1026.36   82.6036      783.81    82.6036      74.2011   -97.3964     
1 1 1 32  10 4  o 16 3.75965      0.493801    734.18    163.807      207.255   -16.1929     436.78    -16.1929     
1 1 1 32  10 5  o 10 6.70423      0.80569     935.52    116.967      25.5344   116.967      410.75    -63.0333     
1 1 1 32  10 6  o 17 3.98936      0.546444    438.483   -49.5804     100.664   -49.5804     147.639   130.42       
1 1 1 32  10 7  o 7  4.45466      0.490165    713.462   40.1118      222.318   40.1118      210.769   -139.888     
1 1 1 32  10 8  o 1  2.55915      0.443598    555.44    123.984      7.68451   123.984      247.762   -56.0165     
1 1 1 32  10 9  o 13 0.605725     0.370956    441.72    56.8434      ?         ?            ?         ?            
1 1 1 32  10 10 o 17 11.9276      0.986235    867.084   -140.468     750.958   -140.468     22.3958   39.5318      
1 1 1 32  10 11 o 9  6.77553      1.00629     908.616   3.40863      424.691   3.40863      199.829   -176.591     
1 1 1 32  10 12 o 8  17.3835      1.09292     854.215   -116.019     1447.17   -116.019     350.86    -116.019     
1 1 1 32  10 13 o 4  0.73156      0.438821    59.8466   -125.899     0.881648  -125.899     24.239    54.1013      
1 1 1 32  10 14 o 14 1.22893      0.489231    220.944   -33.7674     134.019   -33.7674     20.4284   146.233      
1 1 1 32  10 15 o 8  0.293992     0.541436    169.1     169.319      ?         ?            ?         ?            
1 1 1 32  10 16 o 5  4.13403      0.766997    201.376   -117.237     708.567   -117.237     277.72    -117.237     
1 1 1 32  12 0  o 5  1.15126      0.348504    303.541   -57.9193     123.963   122.081      199.184   122.081      
1 1 1 32  12 1  o 6  2.29696      0.456063    293.777   -163.377     16.1531   -163.377     124.87    16.6229      
1 1 1 32  12 2  o 12 4.08657      0.567814    1008.95   165.956      3.46447   -14.0444     459.303   -14.0444     
1 1 1 32  12 3  o 1  0.207749     0.348165    64.64     -84.9479     ?         ?            ?         ?            
1 1 1 32  12 4  o 5  11.9948      0.732529    1243.64   -86.4778     663.139   -86.4778     236.647   93.5222      
1 1 1 32  12 5  o 11 0.785441     0.509378    292.604   65.6563      ?         ?            ?         ?            
1 1 1 32  12 6  o 7  -0.142602    0.351419    414.576   -137.083     359.189   42.9165      369.674   42.9165      
1 1 1 32  12 7  o 4  2.00502      0.540695    295.991   -75.5164     109.969   -75.5164     79.4966   104.484      
1 1 1 32  12 8  o 10 3.77249      0.682276    214.913   -129.041     445.166   -129.041     127.192   -129.041     
1 1 1 32  12 9  o 14 1.67669      0.439012    404.463   -105.902     130.237   -105.902     107.651   74.0981      
1 1 1 32  12 10 o 4  2.8169       0.506581    617.438   166.306      306.325   166.306      99.298    -13.694      
1 1 1 32  12 11 o 11 1.56486      0.43685     253.772   -179.231     221.848   -179.231     10.389    -179.231     
1 1 1 32  12 12 o 4  4.10841      0.57435     495.015   -129.36      617.815   -129.36      116.51    -129.36      
1 1 1 32  12 13 o 4  1.08124      0.504305    204.202   -30.6455     115.308   -30.6455     19.0072   149.354      
1 1 1 32  14 0  o 5  2.27338      0.55972     507.988   -16.757      173.267   -16.757      135.833   163.243      
1 1 1 32  14 1  o 15 3.00824      0.537676    715.047   -144.251     178.143   -144.251     221.439   35.7494      
1 1 1 32  14 2  o 3  5.33262      0.601195    567.814   -124.651     654.696   -124.651     83.9184   -124.651     
1 1 1 32  14 3  o 16 1.42389      0.429769    246.091   22.2086      79.7285   22.2086      63.8357   -157.791     
1 1 1 32  14 4  o 7  1.58502      0.443687    405.78    82.8565      78.8148   82.8565      128.107   -97.1435     
1 1 1 32  14 5  o 9  4.8812       0.539044    466.653   -7.10583     681.365   -7.10583     152.05    -7.10583     
1 1 1 32  14 6  o 4  2.5313       0.524943    365.428   -81.8609     348.903   -81.8609     29.3054   -81.8609     
1 1 1 32  14 7  o 14 2.82715      0.494488    140.219   -122.778     404.698   -122.778     147.342   -122.778     
1 1 1 32  14 8  o 9  2.44459      0.541608    285.742   174.779      466.09    174.779      122.586   174.779      
1 1 1 32  14 9  o 12 1.70491      0.483986    176.649   -27.6243     254.975   -27.6243     61.0123   -27.6243     
1 1 1 32  16 0  o 4  0.127228     0.392698    145.103   39.4687      28.6569   -140.531     68.7946   -140.531     
1 1 1 32  16 1  o 13 0.548665     0.436856    201.7     38.2703      24.8069   -141.73      87.9791   -141.73      
1 1 1 32  16 2  o 5  0.38596      0.431032    242.708   -155.662     22.3341   24.3383      102.82    24.3383      
1 1 1 33  1  0  o 8  0.503803     0.300638    201.314   50.461       150.723   -129.539     160.259   -129.539     
1 1 1 33  1  1  o 1  5.96991      0.456093    1277.75   165.24       197.838   -14.7601     636.18    -14.7601     
1 1 1 33  1  2  o 2  97.5466      3.25562     2976.13   33.5183      2873.1    33.5183      191.252   33.5183      
1 1 1 33  1  3  o 15 48.3665      2.04339     1736.72   153.428      2184.79   153.428      371.044   153.428      
1 1 1 33  1  4  o 14 5.21084      0.557779    770.388   -108.87      157.609   -108.87      237.968   71.1301      
1 1 1 33  1  5  o 10 2.23237      0.331614    604.526   165.081      ?         ?            ?         ?            
1 1 1 33  1  6  o 17 7.23694      0.497814    271.154   55.8816      209.199   55.8816      4.45002   -124.118     
1 1 1 33  1  7  o 18 17.5399      0.962733    1267.36   -51.7657     966.568   -51.7657     24.4926   128.234      
1 1 1 33  1  8  o 10 33.2094      1.28606     1447.71   46.9973      1795.28   46.9973      312.55    46.9973      
1 1 1 33  1  9  o 6  16.2843      1.2475      1489.21   -16.4753     765.437   -16.4753     233.718   163.525      
1 1 1 33  1  10 o 16 79.068       2.96538     1355.42   -155.388     3507.89   -155.388     1172.84   -155.388     
1 1 1 33  1  11 o 19 5.69347      0.656674    630.902   -133.98      402.5     46.0197      481.226   46.0197      
1 1 1 33  1  12 o 14 72.9142      2.6237      1661.23   -142.741     2944.12   -142.741     719.755   -142.741     
1 1 1 33  1  13 o 15 35.041       1.55031     731.085   -56.384      2284.94   -56.384      810.856   -56.384      
1 1 1 33  1  14 o 4  69.6085      2.3695      1706.17   -133.985     2911.05   -133.985     685.699   -133.985     
1 1 1 33  1  15 o 9  2.91581      0.467217    165.518   -15.7956     61.4756   164.204      105.815   164.204      
1 1 1 33  1  16 o 12 9.05237      0.814287    320.572   166.858      694.549   166.858      200.198   166.858      
1 1 1 33  1  17 o 7  17.4812      0.997075    764.304   -151.31      1440.74   -151.31      376.59    -151.31      
1 1 1 33  1  18 f 0  3.99351      0.674824    94.0608   91.6253      239.787   91.6253      80.4386   91.6253      
1 1 1 33  1  19 o 4  13.3693      0.926584    283.222   -55.4492     1514.19   -55.4492     645.13    -55.4492     
1 1 1 33  1  20 o 16 5.43751      0.656528    358.333   -72.7443     807.922   -72.7443     267.78    -72.7443     
1 1 1 33  3  0  f 0  66.0772      1.99724     2687.73   6.73766      1923.45   6.73766      159.025   -173.262     
1 1 1 33  3  1  o 12 16.1385      0.951509    927.348   -140.599     1109.16   -140.599     169.459   -140.599     
1 1 1 33  3  2  o 5  15.3408      0.773131    440.087   -144.591     1018      -144.591     327.368   -144.591     
1 1 1 33  3  3  o 13 2.11857      0.424111    941.283   -136.844     ?         ?            ?         ?            
1 1 1 33  3  4  o 8  19.6659      0.962412    1221.48   -42.3678     1190.34   -42.3678     99.9401   -42.3678     
1 1 1 33  3  5  o 18 30.6551      1.57576     1213.96   74.7331      1677.83   74.7331      350.879   74.7331      
1 1 1 33  3  6  o 16 71.7273      2.50981     1760.76   -55.1044     2952.88   -55.1044     771.042   -55.1044     
1 1 1 33  3  7  o 18 9.56233      0.615372    1137.83   82.2497      497.652   82.2497      209.865   -97.7503     
1 1 1 33  3  8  o 9  21.7822      1.35092     936.132   78.9134      1448.76   78.9134      339.683   78.9134      
1 1 1 33  3  9  o 12 14.8568      0.898754    468.062   -156.277     688.847   -156.277     146.066   -156.277     
1 1 1 33  3  10 o 6  20.9539      0.949792    1363.68   -54.968      1033.98   -54.968      81.1441   125.032      
1 1 1 33  3  11 o 4  5.64647      0.516476    358.826   111.632      ?         ?            ?         ?            
1 1 1 33  3  12 o 12 14.6016      0.948138    80.2947   15.0767      265.326   15.0767      96.1984   15.0767      
1 1 1 33  3  13 o 13 14.3236      0.908391    551.913   -98.3225     1114.29   -98.3225     307.568   -98.3225     
1 1 1 33  3  14 o 19 27.1622      1.31662     995.603   20.9977      1774.26   20.9977      437.633   20.9977      
1 1 1 33  3  15 o 15 2.50832      0.558336    494.613   35.9624      102.399   35.9624      174.516   -144.038     
1 1 1 33  3  16 o 13 1.91657      0.482245    260.471   -147.544     ?         ?            ?         ?            
1 1 1 33  3  17 o 9  5.08754      0.744958    152.361   14.7711      294.501   14.7711      80.3296   14.7711      
1 1 1 33  3  18 o 18 4.11605      0.563526    280.575   53.4348      620.034   53.4348      195.639   53.4348      
1 1 1 33  3  19 o 14 1.67959      0.570131    185.209   -64.3793     54.6499   115.621      99.7774   115.621      
1 1 1 33  3  20 o 15 3.57334      0.59807     243.467   49.2508      636.301   49.2508      226.907   49.2508      
1 1 1 33  5  0  o 14 31.3323      1.43459     789.717   -172.913     1951.65   -172.913     655.73    -172.913     
1 1 1 33  5  1  o 8  3.58641      0.494098    580.787   146.187      327.651   -33.8132     398.412   -33.8132     
1 1 1 33  5  2  o 13 62.0552      2.1736      1976.36   -73.4035     2519.45   -73.4035     464.734   -73.4035     
1 1 1 33  5  3  o 2  6.15784      0.500291    453.115   59.0253      309.543   59.0253      26.8873   -120.975     
1 1 1 33  5  4  o 8  21.3398      1.02952     1060.42   107.191      1270.94   107.191      210.483   107.191      
1 1 1 33  5  5  o 3  14.5995      0.900243    479.989   -30.1427     956.262   -30.1427     284.708   -30.1427     
1 1 1 33  5  6  o 7  52.4361      2.13052     2520.11   -29.7891     1788.54   -29.7891     135.461   150.211      
1 1 1 33  5  7  f 0  29.6523      1.23791     1628.52   62.8329      1360.19   62.8329      0.827439  -117.167     
1 1 1 33  5  8  o 13 29.6036      1.24533     1422.24   -133.195     1434.97   -133.195     105.093   -133.195     
1 1 1 33  5  9  o 11 50.4177      1.94739     1687.8    -163.842     2199.89   -163.842     352.031   -163.842     
1 1 1 33  5  10 o 15 38.3955      1.58497     1566.01   -54.7492     1655.31   -54.7492     120.144   -54.7492     
1 1 1 33  5  11 o 19 20.4191      0.960846    246.608   -5.64625     797.48    -5.64625     286.758   -5.64625     
1 1 1 33  5  12 o 3  19.2262      1.08169     1393.87   -174.665     929.658   -174.665     165.23    5.33542      
1 1 1 33  5  13 o 5  2.88543      0.662611    459.311   -96.9465     ?         ?            ?         ?            
1 1 1 33  5  14 o 4  14.1756      0.978667    738.096   -172.193     1188.81   -172.193     257.84    -172.193     
1 1 1 33  5  15 o 11 11.6221      0.755179    696.347   171.876      907.19    171.876      134.367   171.876      
1 1 1 33  5  16 o 14 -0.200397    0.370601    133.402   -58.4492     106.585   121.551      112.489   121.551      
1 1 1 33  5  17 o 13 3.02791      0.552542    292.602   -166.038     203.918   13.9617      222.948   13.9617      
1 1 1 33  5  18 o 9  2.28782      0.47406     511.174   -0.754974    270.526   -0.754974    66.0212   179.245      
1 1 1 33  5  19 o 17 5.15899      0.727585    317.011   51.2084      736.364   51.2084      248.273   51.2084      
1 1 1 33  7  0  o 19 74.1495      2.26724     2554.11   -75.9618     2346.18   -75.9618     141.507   -75.9618     
1 1 1 33  7  1  o 19 20.3487      0.975408    1571.67   125.38       998.503   125.38       138.115   -54.6203     
1 1 1 33  7  2  o 8  15.5688      0.928377    329.718   4.76294      808.123   4.76294      269.399   4.76294      
1 1 1 33  7  3  o 4  1.23371      0.276785    510.843   49.2963      ?         ?            ?         ?            
1 1 1 33  7  4  o 18 22.3664      1.26624     1982.72   -40.4683     512.809   -40.4683     575.433   139.532      
1 1 1 33  7  5  o 17 21.6838      1.34337     875.433   125.336      1403.11   125.336      326.866   125.336      
1 1 1 33  7  6  o 10 65.1228      2.18442     1943.73   104.481      2584.66   104.481      441.884   104.481      
1 1 1 33  7  7  o 6  28.3537      1.27605     726.959   -170.614     1742.41   -170.614     546.692   -170.614     
1 1 1 33  7  8  o 2  11.2767      0.733985    408.086   -143.259     682.127   -143.259     156.446   -143.259     
1 1 1 33  7  9  o 10 25.9677      1.15844     718.336   -34.4529     1822.05   -34.4529     584.817   -34.4529     
1 1 1 33  7  10 o 13 24.7493      1.18191     916.389   -35.7915     1623.98   -35.7915     397.323   -35.7915     
1 1 1 33  7  11 o 7  6.27172      0.612103    41.3538   -151.407     78.1546   -151.407     20.4213   -151.407     
1 1 1 33  7  12 o 14 3.77528      0.77802     346.752   -88.5504     88.823    91.4496      201.7     91.4496      
1 1 1 33  7  13 o 2  6.13488      0.581291    506.971   109.892      484.124   109.892      9.69471   109.892      
1 1 1 33  7  14 o 10 4.31958      0.628242    556.818   77.0433      410.675   77.0433      48.2007   -102.957     
1 1 1 33  7  15 o 10 6.30985      0.645183    368.73    122.774      758.268   122.774      218.79    122.774      
1 1 1 33  7  16 o 17 0.677241     0.434461    312.997   -47.4558     95.3174   132.544      174.968   132.544      
1 1 1 33  7  17 o 11 3.7367       0.601093    119.309   135.066      490.337   135.066      198.414   135.066      
1 1 1 33  7  18 o 17 0.686554     0.506601    245.57    -13.313      45.0378   -13.313      69.7661   166.687      
1 1 1 33  9  0  o 12 18.3735      0.97572     1320.28   171.633      838.222   171.633      161.532   -8.36656     
1 1 1 33  9  1  o 17 12.2306      0.843374    836.828   23.1615      522.957   23.1615      108.694   -156.839     
1 1 1 33  9  2  o 14 0.44746      0.325964    624.541   92.7522      502.07    -87.2478     529.359   -87.2478     
1 1 1 33  9  3  o 18 2.72745      0.4028      153.288   -104.439     88.7872   75.5613      113.244   75.5613      
1 1 1 33  9  4  o 16 4.73427      0.627314    898.061   -69.2321     777.966   110.768      795.06    110.768      
1 1 1 33  9  5  o 5  14.9289      0.94099     1361.68   -134.117     585.085   -134.117     325.537   45.8828      
1 1 1 33  9  6  o 4  7.14367      0.610665    842.297   140.552      258.429   140.552      253.122   -39.4479     
1 1 1 33  9  7  o 19 1.79764      0.437907    235.568   76.4129      ?         ?            ?         ?            
1 1 1 33  9  8  f 0  22.0036      1.06123     1188.27   80.1455      1342.29   80.1455      134.981   80.1455      
1 1 1 33  9  9  o 4  3.11872      0.646601    341.638   122.169      129.358   122.169      89.7063   -57.8312     
1 1 1 33  9  10 o 4  5.33513      0.734762    576.381   176.778      416.334   176.778      54.3178   -3.22216     
1 1 1 33  9  11 o 16 2.64206      0.490114    293.312   -80.0715     157.964   -80.0715     55.5895   99.9285      
1 1 1 33  9  12 o 4  0.899334     0.464502    266.694   156.81       111.611   -23.19       177.036   -23.19       
1 1 1 33  9  13 o 8  1.67659      0.527237    283.137   -144.649     40.3368   -144.649     103.411   35.3509      
1 1 1 33  9  14 o 2  0.0210825    0.417391    235.089   -28.0106     ?         ?            ?         ?            
1 1 1 33  9  15 o 1  8.14546      0.764635    306.423   144.627      1109.24   144.627      433.736   144.627      
1 1 1 33  9  16 o 17 2.82057      0.692548    247.183   122.568      487.617   122.568      149.165   122.568      
1 1 1 33  11 0  o 18 9.95328      0.725869    827.821   -135.392     637.333   -135.392     55.7691   44.6078      
1 1 1 33  11 1  o 2  18.5246      0.992784    1085.39   -111.765     1182.75   -111.765     100.873   -111.765     
1 1 1 33  11 2  o 14 2.20078      0.452015    709.645   37.9573      497.746   -142.043     569.236   -142.043     
1 1 1 33  11 3  o 8  8.0963       0.737865    793.786   -46.8228     455.908   -46.8228     130.151   133.177      
1 1 1 33  11 4  o 12 6.85384      0.604895    759.359   -161.717     458.07    -161.717     113.728   18.2828      
1 1 1 33  11 5  o 17 2.20169      0.443208    827.547   -102.119     310.467   77.881       529.816   77.881       
1 1 1 33  11 6  o 5  3.52667      0.520925    621.537   158.676      172.011   158.676      196.838   -21.3242     
1 1 1 33  11 7  o 1  3.08144      0.528221    510.834   167.485      226.305   167.485      120.756   -12.5149     
1 1 1 33  11 8  o 6  11.6671      0.780354    460.724   37.2226      1086.01   37.2226      331.685   37.2226      
1 1 1 33  11 9  o 14 2.37295      0.750278    100.685   59.5442      81.3583   59.5442      4.971     -120.456     
1 1 1 33  11 10 o 1  1.30397      0.504543    299.538   -23.4527     28.6153   -23.4527     117.208   156.547      
1 1 1 33  11 11 o 12 -0.111506    0.358239    633.319   169.645      457.151   -10.3547     493.43    -10.3547     
1 1 1 33  11 12 o 9  1.24331      0.46385     401.456   98.4729      40.591    98.4729      140.374   -81.5271     
1 1 1 33  11 13 o 3  1.04389      0.459389    210.223   -83.0592     77.5039   -83.0592     43.4428   96.9408      
1 1 1 33  11 14 o 16 1.8521       0.553311    336.381   8.98378      332.744   8.98378      39.2661   8.98378      
1 1 1 33  13 0  o 1  3.65119      0.510072    466.625   -29.8902     318.778   -29.8902     54.6615   150.11       
1 1 1 33  13 1  o 6  1.0888       0.560835    126.434   83.4019      20.3507   -96.5981     68.1143   -96.5981     
1 1 1 33  13 2  o 6  6.2131       0.677769    845.848   81.8237      472.675   81.8237      150.185   -98.1763     
1 1 1 33  13 3  o 9  1.27077      0.391425    675.99    169.524      239.691   -10.4765     426.811   -10.4765     
1 1 1 33  13 4  o 14 1.72985      0.46655     159.302   -151.406     70.5056   -151.406     36.2247   28.5936      
1 1 1 33  13 5  o 19 0.754907     0.359014    213.611   -68.5943     68.7677   111.406      128.35    111.406      
1 1 1 33  13 6  o 5  1.0123       0.417489    515.078   9.91067      76.0158   -170.089     258.301   -170.089     
1 1 1 33  13 7  o 10 2.96207      0.606172    332.066   -171.248     366.609   -171.248     45.9171   -171.248     
1 1 1 33  13 8  o 12 3.30834      0.571705    377.61    159.525      452.725   159.525      74.7663   159.525      
1 1 1 33  13 9  o 2  0.799055     0.472852    303.264   -118.746     53.7545   61.2536      146.271   61.2536      
1 1 1 33  13 10 o 2  2.13872      0.484883    235.816   138.452      377.602   138.452      97.516    138.452      
1 1 1 33  13 11 o 15 2.5803       0.545267    399.245   -97.1781     467.499   -97.1781     83.9125   -97.1781     
1 1 1 33  15 0  o 5  0.813522     0.449486    262.238   143.909      18.9199   143.909      94.2444   -36.0913     
1 1 1 33  15 1  o 9  0.224395     0.391081    317.776   23.5038      177.88    -156.496     214.176   -156.496     
1 1 1 33  15 2  o 18 0.41955      0.259878    232.261   -118.736     54.4848   61.264       118.376   61.264       
1 1 1 33  15 3  o 7  0.874309     0.440847    240.222   -146.022     58.3202   -146.022     64.5522   33.9783      
1 1 1 33  15 4  o 12 0.821639     0.461451    258.192   -132.769     48.5872   -132.769     75.4769   47.2311      
1 1 1 33  15 5  f 0  0.351209     0.537657    238.49    -50.57       0.397903  -50.57       90.4581   129.43       
1 1 1 33  15 6  o 17 0.145288     0.366738    199.454   141.893      88.2898   -38.1072     118.879   -38.1072     
1 1 1 34  0  0  o 19 0.395816     0.339701    167.564   -4.75014e-14 131.673   180          136.292   180          
1 1 1 34  0  1  o 12 1.08478      0.383794    561.47    0            370.225   180          420.391   180          
1 1 1 34  0  2  o 6  12.095       0.934382    730.082   180          791.495   180          91.4856   180          
1 1 1 34  0  3  o 13 46.5265      2.1726      1716.23   0            2229.72   0            405.301   0            
1 1 1 34  0  4  o 11 11.5642      0.921884    363.212   0            ?         ?            ?         ?            
1 1 1 34  0  5  o 13 6.57284      0.948091    700.881   0            400.489   0            83.3711   180          
1 1 1 34  0  6  o 3  57.3825      2.54665     1393.08   0            3085.97   0            984.006   0            
1 1 1 34  0  7  o 15 130.428      5.08668     2830.91   180          4036.82   180          882.976   180          
1 1 1 34  0  8  o 7  0.436079     0.417425    554.661   0            432.356   180          441.486   180          
1 1 1 34  0  9  o 19 27.5506      1.81857     638.722   0            1955.83   0            711.335   0            
1 1 1 34  0  10 o 15 21.3506      5.02291     1352.49   0            1285.09   0            57.5579   0            
1 1 1 34  0  11 o 1  1.12003      1.26747     244.126   0            ?         ?            ?         ?            
1 1 1 34  0  12 o 4  51.3416      2.65448     1669.92   180          2067.31   180          276.09    180          
1 1 1 34  0  13 o 1  7.26315      0.840439    1321.35   180          245.04    180          476.153   1.06277e-14  
1 1 1 34  0  14 o 6  2.82514      0.695315    444.338   180          ?         ?            ?         ?            
1 1 1 34  0  15 o 18 2.07968      0.658423    247.875   0            35.8031   180          130.605   180          
1 1 1 34  0  16 o 3  1.19104      0.660702    430.401   180          205.266   6.48411e-15  300.109   2.21748e-15  
1 1 1 34  0  17 o 9  3.78878      1.25429     287.741   0            ?         ?            ?         ?            
1 1 1 34  0  18 o 1  -0.23619     0.564711    220.772   180          ?         ?            ?         ?            
1 1 1 34  0  19 o 1  0.86565      0.791188    39.6082   0            15.3031   180          23.234    180          
1 1 1 34  0  20 o 17 9.75245      1.11987     307.099   180          1226.3    180          497.504   180          
1 1 1 34  2  0  o 16 22.7086      0.897744    1430.51   34.5685      1087.47   34.5685      54.3016   -145.431     
1 1 1 34  2  1  o 13 96.4481      3.02375     2457.1    -159.48      3120.18   -159.48      536.963   -159.48      
1 1 1 34  2  2  o 15 1.91791      0.418037    1085.65   167.241      ?         ?            ?         ?            
1 1 1 34  2  3  o 7  31.8853      1.31235     1357.77   -16.9345     1824.2    -16.9345     354.889   -16.9345     
1 1 1 34  2  4  o 17 12.709       0.690046    1407.74   134.539      361.032   134.539      391.497   -45.461      
1 1 1 34  2  5  o 11 8.71629      0.574836    884.786   -66.5534     528.83    -66.5534     91.7651   113.447      
1 1 1 34  2  6  o 18 10.3318      0.730805    854.812   -47.7357     630.063   -47.7357     27.4329   132.264      
1 1 1 34  2  7  o 15 58.6265      2.84637     1884.85   60.7141      2542.4    60.7141      512.521   60.7141      
1 1 1 34  2  8  o 8  4.20661      0.483203    784.408   -164.929     493.498   15.0705      568.189   15.0705      
1 1 1 34  2  9  o 18 7.54775      0.756537    538.963   26.795       220.827   26.795       117.235   -153.205     
1 1 1 34  2  10 o 17 14.0447      0.68212     947.155   18.0292      808.204   18.0292      10.2018   -161.971     
1 1 1 34  2  11 o 12 3.43126      0.626523    784.747   -35.0073     199.141   144.993      452.323   144.993      
1 1 1 34  2  12 o 3  28.8666      1.36092     1096.91   -48.5548     1626.73   -48.5548     315.249   -48.5548     
1 1 1 34  2  13 f 0  40.7698      1.50174     1053.35   169.871      2384.24   169.871      715.636   169.871      
1 1 1 34  2  14 o 11 19.2939      1.12136     303.789   -83.0528     1365.59   -83.0528     545.67    -83.0528     
1 1 1 34  2  15 o 15 15.676       1.11877     918.742   -60.1225     784.522   -60.1225     26.7665   119.878      
1 1 1 34  2  16 o 13 3.82045      0.55998     74.8713   -68.0436     108.361   -68.0436     19.8846   -68.0436     
1 1 1 34  2  17 o 3  1.91506      0.495953    491.997   -89.139      ?         ?            ?         ?            
1 1 1 34  2  18 o 18 7.76976      0.852069    488.612   -33.5671     956.294   -33.5671     278.591   -33.5671     
1 1 1 34  2  19 f 0  1.92226      0.500844    93.6622   -135.283     195.367   -135.283     61.0193   -135.283     
1 1 1 34  2  20 f 0  4.78313      0.607948    367.063   -168.424     327.424   -168.424     26.1761   -168.424     
1 1 1 34  4  0  o 18 29.2396      1.44599     837.931   109.48       1822.24   109.48       568.202   109.48       
1 1 1 34  4  1  o 18 21.7651      0.940935    906.381   -134.827     1541.4    -134.827     401.39    -134.827     
1 1 1 34  4  2  o 10 2.98478      0.383903    446.562   -168.741     ?         ?            ?         ?            
1 1 1 34  4  3  o 13 40.0574      1.29432     1948.02   21.3147      1735.62   21.3147      83.4267   21.3147      
1 1 1 34  4  4  o 15 31.3476      1.27947     595.706   71.4201      1800.54   71.4201      661.46    71.4201      
1 1 1 34  4  5  o 1  4.70578      0.516144    280.516   120.531      14.25     -59.4687     119.611   -59.4687     
1 1 1 34  4  6  o 13 18.5663      0.991613    752.147   -119.43      1268.37   -119.43      330.025   -119.43      
1 1 1 34  4  7  o 2  21.8914      1.40338     1114.1    -83.8785     1252.72   -83.8785     167.248   -83.8785     
1 1 1 34  4  8  o 2  31.5936      1.23436     768.375   -25.6905     1771.52   -25.6905     560.034   -25.6905     
1 1 1 34  4  9  o 18 6.76425      0.698664    885.515   -172.187     205.788   -172.187     284.595   7.81281      
1 1 1 34  4  10 o 7  157.886      4.16508     2921.6    114.852      4083.83   114.852      730.406   114.852      
1 1 1 34  4  11 o 17 3.24364      0.470627    439.608   -162.772     163.156   17.2277      281.143   17.2277      
1 1 1 34  4  12 o 9  11.7519      0.846941    1217.06   -14.1959     275.487   -14.1959     413.461   165.804      
1 1 1 34  4  13 o 4  2.34795      0.490548    512.394   20.2075      ?         ?            ?         ?            
1 1 1 34  4  14 o 6  1.90891      0.570708    130.506   152.411      16.0424   -27.5894     67.3106   -27.5894     
1 1 1 34  4  15 o 4  0.716615     0.45266     130.18    -148.975     86.758    31.0252      103.114   31.0252      
1 1 1 34  4  16 o 16 0.342575     0.390529    53.1276   -176.027     ?         ?            ?         ?            
1 1 1 34  4  17 o 9  3.50978      0.528045    272.629   -29.0496     477.365   -29.0496     123.971   -29.0496     
1 1 1 34  4  18 o 3  1.08911      0.411386    103.206   88.6824      ?         ?            ?         ?            
1 1 1 34  4  19 o 11 0.317437     0.592618    196.776   -139.782     40.1009   40.2184      95.3976   40.2184      
1 1 1 34  6  0  o 15 15.1147      0.908304    969.004   177.061      951.497   177.061      87.5285   177.061      
1 1 1 34  6  1  o 6  2.93972      0.35725     842.718   -107.371     249.942   72.6287      462.854   72.6287      
1 1 1 34  6  2  o 15 5.80009      0.555786    501.066   -68.1939     186.133   111.806      294.497   111.806      
1 1 1 34  6  3  o 5  6.46676      0.603002    315.423   -36.5484     2.44692   -36.5484     126.353   143.452      
1 1 1 34  6  4  o 3  52.5181      1.79425     1505.94   47.7344      2576.44   47.7344      672.262   47.7344      
1 1 1 34  6  5  o 5  0.342161     0.261772    351.492   85.9532      ?         ?            ?         ?            
1 1 1 34  6  6  o 8  8.35407      0.673947    827.264   102.286      339.379   102.286      182.623   -77.7139     
1 1 1 34  6  7  o 9  11.0738      0.740973    747.366   152.933      650.662   152.933      1.19382   -27.067      
1 1 1 34  6  8  o 5  47.0978      1.94567     1589.48   133.471      2189.07   133.471      384.245   133.471      
1 1 1 34  6  9  o 19 58.1974      1.93196     1508.96   -152.047     2625.8    -152.047     629.375   -152.047     
1 1 1 34  6  10 o 15 2.11686      0.424256    394.355   -154.686     299.36    25.3136      328.689   25.3136      
1 1 1 34  6  11 o 13 1.48157      0.439676    388.099   -0.0759197   ?         ?            ?         ?            
1 1 1 34  6  12 f 0  36.4802      1.65271     1324.74   -61.1542     1969.86   -61.1542     386.804   -61.1542     
1 1 1 34  6  13 o 16 4.12441      0.77107     386.901   94.027       102.028   94.027       125.293   -85.973      
1 1 1 34  6  14 o 18 12.597       0.853009    364.72    6.46585      1278.66   6.46585      472.016   6.46585      
1 1 1 34  6  15 o 9  24.1466      1.16578     882.896   38.1729      1779.41   38.1729      494.684   38.1729      
1 1 1 34  6  16 o 19 2.62213      0.506129    650.116   159.714      167.405   159.714      188.976   -20.2858     
1 1 1 34  6  17 o 15 5.92027      0.668011    453.996   -8.96856     786.157   -8.96856     213.02    -8.96856     
1 1 1 34  6  18 o 4  2.36404      0.662477    233.38    -2.2163      432.221   -2.2163      126.46    -2.2163      
1 1 1 34  8  0  o 12 27.1188      4.05897     940.029   123.866      1528.11   123.866      366.604   123.866      
1 1 1 34  8  1  o 12 3.52983      0.394521    732.459   113.422      321.479   -66.5784     472.751   -66.5784     
1 1 1 34  8  2  o 19 10.9287      0.668706    1018.76   -30.3783     434.447   -30.3783     221.355   149.622      
1 1 1 34  8  3  o 6  39.3243      1.615       1802.92   -140.458     1587.96   -140.458     7.60192   -140.458     
1 1 1 34  8  4  o 19 13.3309      0.965142    927.046   99.5821      818.804   99.5821      0.749722  -80.4179     
1 1 1 34  8  5  o 8  32.1321      1.32715     1902.01   63.8321      1057.64   63.8321      323.852   -116.168     
1 1 1 34  8  6  o 3  33.6008      1.46814     2059.07   -134.197     1190.66   -134.197     336.474   45.8028      
1 1 1 34  8  7  o 6  20.1813      1.2624      1236.34   -166.447     944.476   -166.447     89.2179   13.5526      
1 1 1 34  8  8  o 5  1.92136      0.408328    23.5422   -12.3894     10.9647   167.611      16.1509   167.611      
1 1 1 34  8  9  o 12 2.74351      0.444827    400.088   175.763      39.4743   -4.23713     200.343   -4.23713     
1 1 1 34  8  10 o 4  6.97231      0.693043    1154.45   85.4415      216.097   85.4415      413.389   -94.5585     
1 1 1 34  8  11 o 18 5.40516      0.772071    172.89    152.401      306.944   152.401      74.7453   152.401      
1 1 1 34  8  12 o 3  17.8499      0.949833    625.181   -56.5076     1582.77   -56.5076     504.515   -56.5076     
1 1 1 34  8  13 o 7  8.32816      0.716168    677.327   -62.5799     759.467   -62.5799     73.0018   -62.5799     
1 1 1 34  8  14 o 4  0.457687     0.471764    376.576   115.091      ?         ?            ?         ?            
1 1 1 34  8  15 o 3  0.791967     0.514153    63.5248   -63.838      21.1846   116.162      36.3388   116.162      
1 1 1 34  8  16 o 16 3.69095      0.569653    642.869   93.3583      423.996   93.3583      39.8679   -86.6417     
1 1 1 34  8  17 o 3  -0.0583384   0.499089    212.194   133.58       116.415   -46.4203     138.08    -46.4203     
1 1 1 34  10 0  o 1  5.22436      0.646258    292.895   149.927      126.825   149.927      69.5352   -30.0726     
1 1 1 34  10 1  o 15 24.6572      1.07484     1661.89   82.1698      1028.16   82.1698      240.601   -97.8302     
1 1 1 34  10 2  o 7  1.51396      0.340417    718.596   -142.023     ?         ?            ?         ?            
1 1 1 34  10 3  o 6  6.9877       0.707462    655.802   62.2296      184.049   62.2296      205.419   -117.77      
1 1 1 34  10 4  o 17 4.8074       0.553671    1119.11   48.5798      276.56    -131.42      644.779   -131.42      
1 1 1 34  10 5  o 8  11.1123      0.856358    774.031   -99.9599     870.542   -99.9599     85.7753   -99.9599     
1 1 1 34  10 6  o 19 0.574468     0.382396    312.567   -98.689      271.747   81.311       276.89    81.311       
1 1 1 34  10 7  f 0  1.69406      0.434909    121.678   -169.243     17.2955   10.7568      63.6959   10.7568      
1 1 1 34  10 8  o 5  16.6719      1.14744     740.138   -74.1794     1382.38   -74.1794     354.051   -74.1794     
1 1 1 34  10 9  o 9  14.2459      1.05065     722.954   27.5719      1256.78   27.5719      296.845   27.5719      
1 1 1 34  10 10 o 13 1.6293       0.479223    33.8416   -107.6       ?         ?            ?         ?            
1 1 1 34  10 11 o 10 0.538422     0.672817    280.453   -75.459      ?         ?            ?         ?            
1 1 1 34  10 12 o 13 4.21369      0.620576    284.622   -7.64801     500.804   -7.64801     129.974   -7.64801     
1 1 1 34  10 13 o 14 1.36527      0.462725    148.936   75.3932      72.8051   75.3932      23.4837   -104.607     
1 1 1 34  10 14 o 12 0.740901     0.427887    155.285   -36.6752     18.6888   -36.6752     51.434    143.325      
1 1 1 34  10 15 f 0  1.19487      0.785709    339.42    -2.13016     144.539   177.87       200.431   177.87       
1 1 1 34  12 0  o 6  4.04572      0.597667    400.504   -107.675     268.984   -107.675     47.2688   72.3246      
1 1 1 34  12 1  o 8  5.04516      0.796111    709.591   44.284       366.561   44.284       139.341   -135.716     
1 1 1 34  12 2  o 17 15.9666      0.905942    1371.24   -60.13       861.799   -60.13       194.233   119.87       
1 1 1 34  12 3  o 15 3.46137      0.511742    504.475   15.3651      211.518   15.3651      124.983   -164.635     
1 1 1 34  12 4  o 19 8.58082      0.709562    759.396   14.0212      750.64    14.0212      27.0203   14.0212      
1 1 1 34  12 5  o 7  3.81267      0.599825    339.366   53.0836      411.844   53.0836      50.306    53.0836      
1 1 1 34  12 6  f 0  1.12166      0.439463    267.744   -15.4505     51.0186   164.55       147.396   164.55       
1 1 1 34  12 7  o 15 4.16882      0.654191    298.591   -19.1244     482.863   -19.1244     108.053   -19.1244     
1 1 1 34  12 8  o 8  1.09183      0.52777     139.302   -1.01423     1.9982    178.986      61.2136   178.986      
1 1 1 34  12 9  o 12 1.20394      0.444846    573.772   134.924      22.567    -45.0762     249.211   -45.0762     
1 1 1 34  12 10 o 7  2.63237      0.484944    393.36    -41.8953     358.867   -41.8953     22.0863   -41.8953     
1 1 1 34  12 11 o 8  1.64464      0.458145    285.049   3.42439      248.902   3.42439      12.7446   3.42439      
1 1 1 34  12 12 o 12 2.45102      0.545159    353.662   36.5693      445.129   36.5693      87.5285   36.5693      
1 1 1 34  14 0  o 15 0.250971     0.44637     242.631   75.3083      115.465   -104.692     161.352   -104.692     
1 1 1 34  14 1  o 1  1.99659      0.4595      331.339   38.3863      212.657   38.3863      33.8309   -141.614     
1 1 1 34  14 2  o 14 0.835678     0.428751    440.725   48.2058      95.5894   -131.794     231.734   -131.794     
1 1 1 34  14 3  o 7  1.67641      0.514537    262.929   -145.317     147.777   -145.317     34.0581   34.6834      
1 1 1 34  14 4  o 3  2.00426      0.504194    172.39    -1.6184      207.255   -1.6184      34.0678   -1.6184      
1 1 1 34  14 5  o 9  2.37092      0.455265    490.912   175.212      315.678   175.212      37.2529   -4.78756     
1 1 1 34  14 6  o 18 1.47447      0.486439    174.103   -27.4727     190.574   -27.4727     26.884    -27.4727     
1 1 1 34  14 7  o 18 1.68416      0.535533    222.84    48.7895      264.65    48.7895      45.828    48.7895      
1 1 1 34  14 8  o 17 0.111046     0.324778    178.816   18.5919      97.5628   -161.408     116.596   -161.408     
1 1 1 34  14 9  o 18 0.596125     0.508047    275.397   71.0394      15.7751   -108.961     112.272   -108.961     
1 1 1 34  16 0  o 9  0.272622     0.435125    206.798   -66.379      21.9593   113.621      89.5355   113.621      
1 1 1 35  1  0  o 18 22.5478      1.00207     1167.52   -88.5643     1246.62   -88.5643     135.612   -88.5643     
1 1 1 35  1  1  o 6  9.13164      0.770333    442.551   57.6914      456.493   57.6914      44.1459   57.6914      
1 1 1 35  1  2  o 1  11.1969      0.722617    1056.33   -168.023     612.324   -168.023     130.505   11.9769      
1 1 1 35  1  3  f 0  24.9579      0.996062    1250.46   -43.435      1496.02   -43.435      235.471   -43.435      
1 1 1 35  1  4  o 7  23.8932      1.05536     1084.91   104.577      1405.54   104.577      262.464   104.577      
1 1 1 35  1  5  o 2  10.6858      0.643902    917.852   144.482      124.244   144.482      307.063   -35.5179     
1 1 1 35  1  6  o 10 44.0547      1.58929     1176.13   78.1613      2358.28   78.1613      707.964   78.1613      
1 1 1 35  1  7  o 5  53.5723      1.89631     1649.81   -72.4744     2547.8    -72.4744     609.079   -72.4744     
1 1 1 35  1  8  o 3  22.5793      1.16987     381.618   124.471      1085.4    124.471      385.95    124.471      
1 1 1 35  1  9  o 15 34.7775      2.21802     1036.97   53.3109      2044.75   53.3109      583.022   53.3109      
1 1 1 35  1  10 o 15 51.6098      2.71638     1186.04   -9.38342     2554.14   -9.38342     756.798   -9.38342     
1 1 1 35  1  11 o 10 34.4455      1.51447     1017.71   23.5451      2032.52   23.5451      558.071   23.5451      
1 1 1 35  1  12 o 6  28.1176      1.34502     1108.74   -64.0374     1650.32   -64.0374     321.644   -64.0374     
1 1 1 35  1  13 o 12 37.0472      1.94939     1093.98   90.8662      2202.72   90.8662      606.728   90.8662      
1 1 1 35  1  14 o 12 14.2521      0.827422    431.658   52.5092      1248.71   52.5092      429.441   52.5092      
1 1 1 35  1  15 o 11 10.9926      0.760556    903.816   144.203      550.317   144.203      137.481   -35.7971     
1 1 1 35  1  16 o 5  21.3767      1.27006     756.913   -7.25436     1566.47   -7.25436     436.895   -7.25436     
1 1 1 35  1  17 o 16 6.88852      0.766022    369.035   5.76604      17.5462   5.76604      152.846   -174.234     
1 1 1 35  1  18 o 7  0.52849      0.471493    96.8131   -178.457     ?         ?            ?         ?            
1 1 1 35  1  19 o 6  7.56346      0.806816    384.056   161.164      995.813   161.164      347.875   161.164      
1 1 1 35  1  20 o 1  0.807279     0.515333    362.964   119.591      16.6543   119.591      127.916   -60.4088     
1 1 1 35  3  0  o 2  9.23441      0.772401    1065.32   179.544      436.277   179.544      220.662   -0.456239    
1 1 1 35  3  1  o 1  29.0703      1.19373     1343.78   81.1364      1678.4    81.1364      288.268   81.1364      
1 1 1 35  3  2  o 9  12.9316      0.62497     526.791   -163.723     913.759   -163.723     242.278   -163.723     
1 1 1 35  3  3  o 17 48.6027      1.69626     1675.26   -70.3374     2231.37   -70.3374     438.234   -70.3374     
1 1 1 35  3  4  f 0  3.3007       0.443705    462.011   19.4395      ?         ?            ?         ?            
1 1 1 35  3  5  o 11 3.19945      0.508015    295.555   -38.5051     ?         ?            ?         ?            
1 1 1 35  3  6  o 8  48.0098      1.92054     1783.03   96.48        2245.15   96.48        404.775   96.48        
1 1 1 35  3  7  o 2  34.5072      1.82697     1374.26   -96.8908     1830.37   -96.8908     353.182   -96.8908     
1 1 1 35  3  8  o 8  48.0644      2.19523     1900.03   -137.924     1899.15   -137.924     151.519   -137.924     
1 1 1 35  3  9  o 17 16.7383      0.910046    781.265   -135.841     1118.82   -135.841     220.36    -135.841     
1 1 1 35  3  10 o 15 57.7003      2.38097     897.667   -3.4209      3029.6    -3.4209      1113.85   -3.4209      
1 1 1 35  3  11 o 15 8.39702      0.742974    858.891   145.246      44.2679   145.246      367.357   -34.7541     
1 1 1 35  3  12 o 8  12.8485      0.825323    567.656   -129.45      912.879   -129.45      199.072   -129.45      
1 1 1 35  3  13 o 12 26.1012      1.10433     833.307   14.6032      1759.42   14.6032      503.737   14.6032      
1 1 1 35  3  14 o 15 22.4513      1.2569      810.21    86.3928      1582.03   86.3928      423.65    86.3928      
1 1 1 35  3  15 o 8  11.7427      0.805253    757.32    151.584      926.697   151.584      116.022   151.584      
1 1 1 35  3  16 o 17 1.83686      0.502122    265.432   -82.8785     226.24    97.1215      233.16    97.1215      
1 1 1 35  3  17 o 13 1.33639      0.531841    339.608   -66.1291     ?         ?            ?         ?            
1 1 1 35  3  18 o 10 16.2293      1.03471     667.917   154.304      1418.24   154.304      443.106   154.304      
1 1 1 35  3  19 o 13 0.533806     0.430365    297.176   -6.78276     ?         ?            ?         ?            
1 1 1 35  5  0  o 8  33.8173      1.29252     1626.25   59.8235      1585.26   59.8235      139.148   59.8235      
1 1 1 35  5  1  o 19 5.68526      0.724885    592.069   -45.0653     128.821   -45.0653     173.066   134.935      
1 1 1 35  5  2  o 16 32.9805      1.18983     1660.84   -127.057     1676.7    -127.057     172.978   -127.057     
1 1 1 35  5  3  o 3  8.24248      0.549941    620.562   -33.126      522.534   -33.126      12.3596   -33.126      
1 1 1 35  5  4  o 5  7.67073      0.738691    983.003   -63.3707     324.453   -63.3707     234.328   116.629      
1 1 1 35  5  5  o 19 4.87037      0.497834    958.253   119.533      34.3352   119.533      374.251   -60.4671     
1 1 1 35  5  6  o 9  1.97302      0.488143    335.558   -124.805     189.816   55.1953      234.773   55.1953      
1 1 1 35  5  7  o 19 46.2037      1.71332     1199.53   -162.301     2390.06   -162.301     681.65    -162.301     
1 1 1 35  5  8  o 8  6.01464      0.591909    622.715   -125.997     144.409   -125.997     201.809   54.0034      
1 1 1 35  5  9  o 9  39.809       1.42731     1507.26   9.60818      1710.61   9.60818      177.531   9.60818      
1 1 1 35  5  10 o 17 6.44501      0.553018    790.825   -175.805     44.0962   4.19487      381.066   4.19487      
1 1 1 35  5  11 o 14 9.15872      0.677959    781.796   -164.43      140.048   15.5696      424.213   15.5696      
1 1 1 35  5  12 o 10 6.12782      0.803265    638.972   165.542      407.397   165.542      84.5698   -14.4581     
1 1 1 35  5  13 o 18 9.97141      0.987966    592.938   -30.5497     194.772   -30.5497     171.447   149.45       
1 1 1 35  5  14 o 2  1.38481      0.504677    181.708   172.56       ?         ?            ?         ?            
1 1 1 35  5  15 o 11 17.1536      0.974647    821.271   12.2291      1412.06   12.2291      333.063   12.2291      
1 1 1 35  5  16 o 13 2.33571      0.515065    367.042   -21.0038     ?         ?            ?         ?            
1 1 1 35  5  17 o 13 7.44431      0.622706    98.0543   -169.356     611.52    -169.356     266.324   -169.356     
1 1 1 35  5  18 o 10 0.715097     0.428595    266.306   178.749      91.7795   -1.25096     149.521   -1.25096     
1 1 1 35  5  19 o 14 0.832585     0.544824    220.605   0.957155     52.7264   0.957155     56.8961   -179.043     
1 1 1 35  7  0  o 18 12.1831      0.784369    836.814   138.716      706.911   138.716      10.8286   138.716      
1 1 1 35  7  1  o 13 8.82659      0.695505    778.63    -59.2655     471.182   -59.2655     85.2089   120.734      
1 1 1 35  7  2  o 9  44.1115      1.71506     1960.97   -50.3671     1891.71   -50.3671     130.037   -50.3671     
1 1 1 35  7  3  o 19 8.9435       0.762651    725.845   90.9084      298.596   90.9084      156.806   -89.0916     
1 1 1 35  7  4  o 8  74.9887      2.32053     2279.71   133.414      2633.49   133.414      338.692   133.414      
1 1 1 35  7  5  o 11 7.45704      0.63238     161.053   57.9645      44.6492   57.9645      48.1143   -122.035     
1 1 1 35  7  6  o 14 54.4054      2.14422     2202.29   -166.372     1913.7    -166.372     24.1798   13.6278      
1 1 1 35  7  7  o 8  26.2383      1.09406     678.853   19.9793      1634.1    19.9793      510.53    19.9793      
1 1 1 35  7  8  o 5  10.8134      0.681391    789.492   5.67952      717.67    5.67952      0.343359  5.67952      
1 1 1 35  7  9  o 18 10.3449      0.713676    980.233   114.431      384.434   114.431      252.024   -65.5689     
1 1 1 35  7  10 o 12 9.63051      0.67143     436.744   -176.69      722.962   -176.69      164.368   -176.69      
1 1 1 35  7  11 o 7  23.7679      1.48914     762.665   171.785      1797.86   171.785      554.161   171.785      
1 1 1 35  7  12 o 1  1.88926      0.518957    214.792   -117.49      11.4546   -117.49      92.3154   62.5097      
1 1 1 35  7  13 o 18 20.8128      1.19935     997.145   -115.815     1465.9    -115.815     275.695   -115.815     
1 1 1 35  7  14 o 1  2.94495      0.542976    306.774   -86.7829     285.856   -86.7829     5.75189   -86.7829     
1 1 1 35  7  15 f 0  3.96447      0.572087    292.858   129.774      559.726   129.774      156.66    129.774      
1 1 1 35  7  16 o 14 4.43744      0.636593    499.56    -88.6581     630.685   -88.6581     116.572   -88.6581     
1 1 1 35  7  17 f 0  1.59575      0.731585    310.197   166.361      195.328   166.361      22.2393   -13.6389     
1 1 1 35  9  0  o 3  20.8827      1.02352     1718.94   102.441      687.267   102.441      424.01    -77.5594     
1 1 1 35  9  1  o 2  60.1941      2.24921     2595.95   -77.268      1823.51   -77.268      252.611   102.732      
1 1 1 35  9  2  o 9  1.33994      0.41207     432.162   -145.31      ?         ?            ?         ?            
1 1 1 35  9  3  o 9  11.0491      0.900626    749.043   165.248      656.811   165.248      10.7687   -14.7521     
1 1 1 35  9  4  o 9  10.778       0.747623    889.13    -31.7001     439.701   -31.7001     183.813   148.3        
1 1 1 35  9  5  o 12 5.23351      0.613185    127.376   -23.6805     95.5515   -23.6805     10.0449   156.32       
1 1 1 35  9  6  o 17 10.441       0.790161    499.764   33.82        554.601   33.82        51.0343   33.82        
1 1 1 35  9  7  o 7  1.32007      0.413544    168.068   17.5445      ?         ?            ?         ?            
1 1 1 35  9  8  o 2  15.9121      1.09822     619.932   -101.633     1105.5    -101.633     272.894   -101.633     
1 1 1 35  9  9  o 15 0.200534     0.554817    129.236   -36.7143     ?         ?            ?         ?            
1 1 1 35  9  10 o 7  0.910316     0.608383    258.655   -26.1108     ?         ?            ?         ?            
1 1 1 35  9  11 o 14 6.05815      0.666539    222.959   91.0153      298.378   91.0153      47.1276   91.0153      
1 1 1 35  9  12 o 18 3.85122      0.59603     245.482   -28.8209     350.646   -28.8209     65.8166   -28.8209     
1 1 1 35  9  13 o 18 1.59993      0.499036    244.805   4.95903      150.859   4.95903      28.0562   -175.041     
1 1 1 35  9  14 o 14 0.741258     0.523625    177.16    -38.3312     113.188   141.669      127.593   141.669      
1 1 1 35  9  15 o 7  2.29902      0.475826    272.59    -79.2753     396.036   -79.2753     91.6724   -79.2753     
1 1 1 35  9  16 o 14 1.51555      0.607544    147.053   -21.5525     199.436   -21.5525     44.575    -21.5525     
1 1 1 35  11 0  o 17 2.08195      0.480589    282.624   -140.422     44.0287   39.5783      149.571   39.5783      
1 1 1 35  11 1  o 15 3.0366       0.597821    185.484   -1.80093     0.266544  178.199      83.8167   178.199      
1 1 1 35  11 2  o 16 6.08398      0.714658    625.652   -177.559     450.69    -177.559     56.926    2.4407       
1 1 1 35  11 3  o 6  6.44369      0.601967    629.943   -144.666     543.282   -144.666     12.8514   35.3337      
1 1 1 35  11 4  o 10 3.22022      0.477685    388.074   133.625      138.166   133.625      106.658   -46.3748     
1 1 1 35  11 5  o 6  4.04927      0.579897    204.141   63.143       218.354   63.143       16.289    63.143       
1 1 1 35  11 6  o 13 1.7461       0.478472    324.494   -114.266     269.512   65.734       283.246   65.734       
1 1 1 35  11 7  o 18 0.409604     0.361568    531.55    13.3256      413.338   -166.674     450.574   -166.674     
1 1 1 35  11 8  o 7  -0.0632363   0.401544    250.179   -126.867     ?         ?            ?         ?            
1 1 1 35  11 9  o 17 0.112006     0.401497    201.872   92.6725      ?         ?            ?         ?            
1 1 1 35  11 10 o 7  2.85216      0.532545    184.331   27.0394      329.568   27.0394      86.2461   27.0394      
1 1 1 35  11 11 o 4  1.14839      0.449613    245.073   -79.0568     85.2194   -79.0568     57.0017   100.943      
1 1 1 35  11 12 o 15 0.907251     0.469614    385.936   -28.3571     21.6173   -28.3571     141.377   151.643      
1 1 1 35  11 13 o 13 2.92587      0.549315    318.275   148.893      505.081   148.893      129.869   148.893      
1 1 1 35  11 14 o 16 1.93417      0.927317    171.907   -158.818     272.841   -158.818     71.5925   -158.818     
1 1 1 35  13 0  o 2  0.946052     0.503179    304.605   165.189      88.926    -14.8106     183.484   -14.8106     
1 1 1 35  13 1  o 10 3.65273      0.556593    375.922   -76.1102     423.711   -76.1102     40.8929   -76.1102     
1 1 1 35  13 2  o 15 3.55648      0.649143    463.456   -77.0304     372.42    -77.0304     23.1588   102.97       
1 1 1 35  13 3  o 19 2.68576      0.582386    609.295   98.7709      196.577   98.7709      173.83    -81.2291     
1 1 1 35  13 4  o 17 0.366295     0.385806    247.677   -178.335     123.064   1.66485      170.189   1.66485      
1 1 1 35  13 5  o 11 1.0398       0.438665    186.198   36.5573      29.7104   36.5573      64.8245   -143.443     
1 1 1 35  13 6  o 5  1.85083      0.4631      409.421   134.068      226.2     134.068      56.9619   -45.9321     
1 1 1 35  13 7  o 19 1.05391      0.452006    572.101   7.82665      101.347   -172.173     281.564   -172.173     
1 1 1 35  13 8  o 16 0.549523     0.426068    229.756   -113.965     47.9918   66.0351      114.825   66.0351      
1 1 1 35  13 9  o 6  2.18198      0.487409    200.418   -167.21      288.828   -167.21      66.3174   -167.21      
1 1 1 35  13 10 o 1  0.212197     0.420386    222.525   -3.95346     ?         ?            ?         ?            
1 1 1 35  15 0  o 1  1.02279      0.502034    239.513   -96.8533     82.7244   -96.8533     52.4908   83.1467      
1 1 1 35  15 1  f 0  0.837893     0.425924    144.972   -161.207     37.3996   -161.207     37.9248   18.7928      
1 1 1 35  15 2  f 0  1.05135      0.485952    255.043   81.949       119.369   81.949       39.4038   -98.051      
1 1 1 35  15 3  o 17 0.180959     0.421023    206.578   -135.218     69.4868   44.7816      114.267   44.7816      
1 1 1 35  15 4  o 3  0.502314     0.439891    387.701   64.5885      53.5187   -115.411     173.817   -115.411     
1 1 1 35  15 5  o 10 0.229488     0.612769    186.272   28.4197      3.48256   -151.58      71.5352   -151.58      
1 1 1 36  0  0  o 7  7.38837      0.864981    806.527   1.36753e-14  409.844   -2.23862e-14 130.533   -180         
1 1 1 36  0  1  o 15 4.28272      0.532196    547.29    180          ?         ?            ?         ?            
1 1 1 36  0  2  o 17 11.6611      1.064       584.11    180          928.705   180          224.105   180          
1 1 1 36  0  3  o 15 72.645       3.59719     2193.4    180          2949.39   180          580.172   180          
1 1 1 36  0  4  o 19 2.16593      0.436466    172.044   180          118.307   1.2303e-15   128.679   5.65566e-16  
1 1 1 36  0  5  o 7  3.48052      0.654225    232.505   180          ?         ?            ?         ?            
1 1 1 36  0  6  o 7  44.9732      2.57381     1620.14   0            2331.16   0            516.084   0            
1 1 1 36  0  7  o 4  18.1611      1.35994     1189.67   0            1208.87   0            122.842   0            
1 1 1 36  0  8  o 6  4.50339      0.645877    354.08    180          58.4276   180          117.4     1.05088e-14  
1 1 1 36  0  9  o 9  5.17027      1.71033     446.623   180          69.22     180          156.427   1.01217e-14  
1 1 1 36  0  10 o 6  170.065      12.6411     3317.08   180          4142.58   180          604.717   180          
1 1 1 36  0  11 o 16 6.00063      1.16682     258.976   0            72.4708   0            80.7945   180          
1 1 1 36  0  12 o 16 2.73747      0.67184     369.139   0            43.9777   180          189.575   180          
1 1 1 36  0  13 o 13 58.0814      2.67598     1701.45   0            2703.74   0            583.457   0            
1 1 1 36  0  14 o 2  7.9319       0.934119    724.706   180          825.492   180          85.0481   180          
1 1 1 36  0  15 o 16 5.88648      0.918077    760.475   0            ?         ?            ?         ?            
1 1 1 36  0  16 o 5  52.2679      2.86952     851.53    180          3155.45   180          1189.63   180          
1 1 1 36  0  17 o 10 4.07797      0.832931    141.138   0            388.068   0            133.025   0            
1 1 1 36  0  18 o 15 6.14857      1.11049     398.664   180          635.687   180          157.465   180          
1 1 1 36  0  19 o 16 3.74881      0.922189    342.047   0            643.996   0            189.111   0            
1 1 1 36  0  20 o 1  2.74695      0.776973    410.125   0            ?         ?            ?         ?            
1 1 1 36  2  0  o 9  18.9224      0.869884    994.058   -62.9959     1170.91   -62.9959     174.951   -62.9959     
1 1 1 36  2  1  o 10 23.3706      0.862822    711.902   14.4779      1508.59   14.4779      461.701   14.4779      
1 1 1 36  2  2  o 12 23.2117      0.894345    431.232   160.522      1396.04   160.522      521.948   160.522      
1 1 1 36  2  3  o 14 41.029       1.44689     1966.73   -165.698     1715.67   -165.698     61.0708   -165.698     
1 1 1 36  2  4  o 7  37.468       1.31695     2197      -69.7655     1109.88   -69.7655     328.621   110.235      
1 1 1 36  2  5  o 14 8.39081      0.528063    1060.16   -60.5421     595.502   119.458      722.482   119.458      
1 1 1 36  2  6  o 5  3.58461      0.44131     586.51    -36.3043     ?         ?            ?         ?            
1 1 1 36  2  7  o 5  88.9567      3.83334     2679.68   139.878      2901.3    139.878      357.271   139.878      
1 1 1 36  2  8  o 13 28.6746      1.67712     1499.17   -30.1056     1439.2    -30.1056     91.6757   -30.1056     
1 1 1 36  2  9  f 0  93.187       2.60899     1894.17   -70.6034     3426.33   -70.6034     893.239   -70.6034     
1 1 1 36  2  10 o 3  52.9511      2.42289     1347.34   177.212      2475.43   177.212      636.87    177.212      
1 1 1 36  2  11 o 2  68.818       2.43162     2043.65   143.326      2321.45   143.326      234.35    143.326      
1 1 1 36  2  12 o 8  59.5749      1.91718     1823.81   120.24       2463.58   120.24       404.694   120.24       
1 1 1 36  2  13 o 5  49.4011      2.04366     947.25    -49.1599     2813.36   -49.1599     979.266   -49.1599     
1 1 1 36  2  14 o 8  11.4658      0.831462    538.925   18.684       981.995   18.684       246.737   18.684       
1 1 1 36  2  15 o 3  4.69025      0.690698    936.713   78.2039      ?         ?            ?         ?            
1 1 1 36  2  16 o 6  3.93827      0.563933    372.033   116.976      310.338   -63.0236     323.585   -63.0236     
1 1 1 36  2  17 o 18 6.42796      0.730624    566.124   145.547      682.074   145.547      100.067   145.547      
1 1 1 36  2  18 o 10 1.08211      0.469242    44.2527   158.518      19.9232   -21.4818     27.5996   -21.4818     
1 1 1 36  2  19 o 9  1.26939      0.489209    326.941   38.4911      63.029    -141.509     157.54    -141.509     
1 1 1 36  4  0  o 2  29.0601      1.21565     976.755   -37.6532     1765.49   -37.6532     487.737   -37.6532     
1 1 1 36  4  1  o 9  12.1203      0.540558    1076.55   98.7492      742.679   98.7492      62.5481   -81.2508     
1 1 1 36  4  2  o 12 5.101        0.493489    396.974   49.7274      39.0197   -130.273     178.924   -130.273     
1 1 1 36  4  3  o 17 42.391       1.62159     593.701   143.442      2358.69   143.442      941.474   143.442      
1 1 1 36  4  4  o 17 95.9992      2.73853     1798.1    -177.311     3812.55   -177.311     1184.84   -177.311     
1 1 1 36  4  5  o 16 32.8196      1.54124     1176.3    -8.34759     1876.19   -8.34759     462.413   -8.34759     
1 1 1 36  4  6  o 10 0.975477     0.383698    407.188   -52.6015     ?         ?            ?         ?            
1 1 1 36  4  7  o 11 32.3645      1.47871     1205.45   78.5627      1775.55   78.5627      379.659   78.5627      
1 1 1 36  4  8  o 1  144.284      4.07182     2393.28   60.2767      4471.89   60.2767      1196.76   60.2767      
1 1 1 36  4  9  o 19 14.5784      1.02218     1155.28   -14.4303     655.721   -14.4303     187.367   165.57       
1 1 1 36  4  10 o 3  6.21475      0.672878    711.522   -106.899     ?         ?            ?         ?            
1 1 1 36  4  11 o 18 1.26956      0.494205    458.125   86.0714      ?         ?            ?         ?            
1 1 1 36  4  12 o 16 5.42133      0.603072    464.703   -8.43749     259.238   -8.43749     80.1976   171.563      
1 1 1 36  4  13 o 15 4.43291      0.752166    811.413   -171.847     693.434   8.15252      713.594   8.15252      
1 1 1 36  4  14 o 17 0.653763     0.453445    278.145   96.7247      ?         ?            ?         ?            
1 1 1 36  4  15 o 14 6.64382      0.721085    278.206   -126.543     709.449   -126.543     227.58    -126.543     
1 1 1 36  4  16 o 6  1.98874      0.486634    418.944   81.6881      114.961   81.6881      125.818   -98.3119     
1 1 1 36  4  17 o 4  2.03735      0.4831      346.183   30.0451      37.2148   30.0451      122.411   -149.955     
1 1 1 36  4  18 o 3  4.51166      0.536187    432.017   -47.2985     702.483   -47.2985     182.101   -47.2985     
1 1 1 36  4  19 o 4  3.08539      1.03074     305.73    107.916      373.139   107.916      71.9799   107.916      
1 1 1 36  6  0  o 6  19.4284      0.902682    1050.15   -71.2613     1169.48   -71.2613     162.031   -71.2613     
1 1 1 36  6  1  o 8  7.82142      0.595301    566.015   144.792      426.925   144.792      15.1722   -35.2081     
1 1 1 36  6  2  o 13 4.43974      0.48914     519.568   116.28       76.7148   116.28       172.872   -63.7199     
1 1 1 36  6  3  o 9  14.7351      0.783917    925.005   -52.4627     651.948   -52.4627     54.0825   127.537      
1 1 1 36  6  4  o 10 2.19157      0.451096    141.268   9.06507      59.1327   -170.935     88.5191   -170.935     
1 1 1 36  6  5  o 7  1.80927      0.450643    223.381   -151.529     147.588   28.4714      168.927   28.4714      
1 1 1 36  6  6  o 17 3.40565      0.523482    636.928   22.0957      179.44    -157.904     367.283   -157.904     
1 1 1 36  6  7  o 19 13.0954      0.859402    834.694   -139.114     594.608   40.886       668.961   40.886       
1 1 1 36  6  8  o 10 5.60773      0.551089    511.468   -71.0168     91.124    -71.0168     185.587   108.983      
1 1 1 36  6  9  o 15 2.42586      0.451746    766.811   -18.1011     ?         ?            ?         ?            
1 1 1 36  6  10 o 17 8.85665      0.668604    439.532   128.434      379.612   128.434      9.14604   -51.566      
1 1 1 36  6  11 f 0  10.1129      0.754075    1280.78   58.0151      776.566   -121.985     966.076   -121.985     
1 1 1 36  6  12 o 15 9.99154      1.28668     375.335   -0.660084    574.41    -0.660084    117.004   -0.660084    
1 1 1 36  6  13 o 8  12.5178      0.857844    711.737   -179.104     1081.1    -179.104     214.369   -179.104     
1 1 1 36  6  14 o 9  8.12666      0.686562    604.808   -103.005     88.959    -103.005     230.955   76.9952      
1 1 1 36  6  15 o 3  0.614584     0.449767    715.518   -152.947     ?         ?            ?         ?            
1 1 1 36  6  16 o 7  1.75701      0.452843    351.849   45.7903      158.954   45.7903      63.533    -134.21      
1 1 1 36  6  17 o 8  1.97642      0.520196    371.997   166.651      307.634   166.651      8.11386   166.651      
1 1 1 36  6  18 o 14 -1.17233     0.38107     207.13    -94.0832     ?         ?            ?         ?            
1 1 1 36  8  0  o 5  69.5518      2.50695     2543.19   -35.1195     2058.29   -35.1195     69.5065   144.88       
1 1 1 36  8  1  o 14 45.2522      5.24987     1641.85   169.547      2073.75   169.547      322.357   169.547      
1 1 1 36  8  2  o 9  7.73378      0.603413    439.084   79.6135      343.443   79.6135      21.2261   -100.386     
1 1 1 36  8  3  o 18 10.6334      0.854294    904.096   43.903       574.339   43.903       114.497   -136.097     
1 1 1 36  8  4  o 7  8.62858      0.856918    685.569   -156.899     439.333   -156.899     88.1325   23.1007      
1 1 1 36  8  5  o 18 27.3708      1.59119     864.329   -127.25      1581.52   -127.25      399.621   -127.25      
1 1 1 36  8  6  o 19 19.4757      1.17967     712.472   -62.7521     1382.77   -62.7521     367.853   -62.7521     
1 1 1 36  8  7  o 4  31.0125      1.79786     976.67    -12.2618     1755.61   -12.2618     434.909   -12.2618     
1 1 1 36  8  8  o 1  2.33786      0.489457    852.781   -70.4235     304.982   109.577      537.755   109.577      
1 1 1 36  8  9  o 5  3.6778       0.548422    242.161   -117.223     92.0894   -117.223     63.2267   62.7767      
1 1 1 36  8  10 o 12 1.38773      0.668368    685.477   139.917      580.517   -40.0831     601.297   -40.0831     
1 1 1 36  8  11 o 6  0.469808     0.506594    215.512   -46.7596     132.36    133.24       164.889   133.24       
1 1 1 36  8  12 o 12 12.0391      0.937122    625.472   119.581      1136.81   119.581      282.422   119.581      
1 1 1 36  8  13 o 1  9.00539      0.830068    516.347   123.001      1009.98   123.001      276.32    123.001      
1 1 1 36  8  14 o 5  2.15604      0.479884    351.583   -84.0652     123.266   -84.0652     85.0051   95.9348      
1 1 1 36  8  15 o 4  1.11975      0.542543    82.3149   -135.255     29.0531   44.7454      47.202    44.7454      
1 1 1 36  8  16 o 15 2.05317      0.665721    252.907   -82.0351     208.924   -82.0351     6.75974   -82.0351     
1 1 1 36  8  17 o 19 1.81024      0.563711    107.925   -2.09274     194.241   -2.09274     55.8407   -2.09274     
1 1 1 36  10 0  o 4  19.2783      1.01752     1358.5    -86.267      897.188   -86.267      168.122   93.733       
1 1 1 36  10 1  o 10 10.0235      0.666835    976.451   -125.582     562.159   -125.582     161.91    54.4179      
1 1 1 36  10 2  o 9  5.52121      0.768548    753.867   104.447      195.777   104.447      243.685   -75.553      
1 1 1 36  10 3  o 9  13.6937      0.775672    869.382   -121.311     803.511   -121.311     8.57258   -121.311     
1 1 1 36  10 4  o 1  0.948483     0.372567    180.47    -141.852     ?         ?            ?         ?            
1 1 1 36  10 5  o 3  8.06495      0.694765    475.459   70.0387      552.304   70.0387      61.6466   70.0387      
1 1 1 36  10 6  f 0  1.41969      0.410158    695.016   63.5444      503.418   -116.456     565.988   -116.456     
1 1 1 36  10 7  o 17 1.66352      0.455679    422.256   -30.9648     ?         ?            ?         ?            
1 1 1 36  10 8  o 13 5.41098      0.657287    382.154   127.163      479.282   127.163      64.5987   127.163      
1 1 1 36  10 9  o 2  3.25354      0.668626    397.297   150.279      298.363   150.279      32.9007   -29.7208     
1 1 1 36  10 10 o 16 9.65906      0.762167    611.11    30.0528      831.118   30.0528      140.238   30.0528      
1 1 1 36  10 11 o 1  1.44387      0.530875    205.082   -172.337     147.984   7.66314      162.663   7.66314      
1 1 1 36  10 12 o 3  3.74975      0.563935    260.369   158.207      508.955   158.207      147.718   158.207      
1 1 1 36  10 13 o 19 3.9238       0.616439    349.743   35.5252      584.959   35.5252      154.247   35.5252      
1 1 1 36  10 14 o 11 0.754264     0.506556    340.071   127.391      2.83116   127.391      129.804   -52.6086     
1 1 1 36  10 15 o 3  1.57044      0.643099    128.89    -170.185     170.47    -170.185     36.4842   -170.185     
1 1 1 36  12 0  o 6  2.37358      0.472296    128.811   67.0167      46.7463   67.0167      35.4031   -112.983     
1 1 1 36  12 1  o 16 7.635        0.897824    494.568   173.545      789.402   173.545      168.612   173.545      
1 1 1 36  12 2  o 10 3.46352      0.562913    460.936   130.587      236.056   130.587      93.144    -49.4131     
1 1 1 36  12 3  o 1  7.96798      0.813687    431.869   -46.6707     836.905   -46.6707     220.296   -46.6707     
1 1 1 36  12 4  o 3  4.17973      0.609634    547.942   147.303      407.13    147.303      47.582    -32.6973     
1 1 1 36  12 5  o 2  6.4309       0.633228    378.266   167.699      795.468   167.699      225.534   167.699      
1 1 1 36  12 6  o 2  1.17787      0.451295    78.4136   -77.9321     10.1445   -77.9321     30.0441   102.068      
1 1 1 36  12 7  o 10 1.01437      0.803552    610.265   -147.25      152.163   32.7501      341.712   32.7501      
1 1 1 36  12 8  o 11 2.94398      0.518436    619.458   59.6402      299.797   59.6402      109.688   -120.36      
1 1 1 36  12 9  o 17 1.1704       0.449768    305.283   -36.8809     80.6625   -36.8809     82.9408   143.119      
1 1 1 36  12 10 o 11 1.50088      0.456017    417.924   142.82       59.1022   142.82       135.202   -37.1798     
1 1 1 36  12 11 o 4  2.51795      0.484274    179.568   -167.554     353.906   -167.554     107.473   -167.554     
1 1 1 36  12 12 o 5  1.33291      0.505427    173.011   94.2974      210.478   94.2974      40.4043   94.2974      
1 1 1 36  14 0  o 9  -0.288562    0.354656    90.769    -68.1358     59.2895   111.864      67.3619   111.864      
1 1 1 36  14 1  o 9  2.13695      0.5184      340.994   -159.105     286.427   -159.105     2.82536   -159.105     
1 1 1 36  14 2  o 12 -4.67183e-05 0.419392    111.365   -176.245     81.8595   3.75485      86.2341   3.75485      
1 1 1 36  14 3  o 13 1.25834      0.43858     271.823   -11.3166     108.68    -11.3166     54.8057   168.683      
1 1 1 36  14 4  o 14 1.19514      0.433969    319.028   -106.763     24.8045   -106.763     114.169   73.237       
1 1 1 36  14 5  o 17 0.112987     0.445795    193.92    -103.976     66.8655   76.0239      109.622   76.0239      
1 1 1 36  14 6  o 9  0.362365     0.431896    252.898   30.4057      36.7931   -149.594     116.716   -149.594     
1 1 1 36  14 7  o 11 0.138566     0.447277    178.601   -124.709     36.8732   55.2907      86.5173   55.2907      
1 1 1 36  14 8  o 10 0.0606872    0.453185    127.85    -96.3414     66.6309   83.6586      81.2709   83.6586      
1 1 1 37  1  0  o 3  0.872688     0.334705    774.261   -131.029     481.657   48.9712      560.15    48.9712      
1 1 1 37  1  1  o 17 15.5439      0.804441    1602.05   -159.503     254.434   -159.503     530.299   20.4973      
1 1 1 37  1  2  o 5  1.18284      0.324806    241.625   -133.67      ?         ?            ?         ?            
1 1 1 37  1  3  o 4  18.239       0.838205    649.064   16.2451      1169.18   16.2451      321.986   16.2451      
1 1 1 37  1  4  o 4  1.86024      0.372936    610.281   -96.6921     ?         ?            ?         ?            
1 1 1 37  1  5  o 1  4.72992      0.507256    507.476   -30.8948     41.7302   149.105      224.168   149.105      
1 1 1 37  1  6  o 10 76.3872      2.37541     2395.84   -128.497     2690.5    -128.497     380.758   -128.497     
1 1 1 37  1  7  o 4  12.897       1.47493     1586.64   10.9265      208.2     10.9265      544.915   -169.074     
1 1 1 37  1  8  o 5  27.0894      1.62427     1347.97   82.4206      1493.76   82.4206      180.329   82.4206      
1 1 1 37  1  9  o 1  226.318      7.24992     3509.74   178.467      5098.56   178.467      1024.69   178.467      
1 1 1 37  1  10 o 16 35.5486      1.6445      1653.12   -102.839     1640.12   -102.839     81.0735   -102.839     
1 1 1 37  1  11 o 14 20.9055      1.03121     914.885   -79.2982     1364.44   -79.2982     267.226   -79.2982     
1 1 1 37  1  12 o 10 34.3759      1.5288      1004.26   -22.0308     2049.27   -22.0308     569.431   -22.0308     
1 1 1 37  1  13 o 18 50.5494      2.01029     1205.37   118.55       2429.79   118.55       671.093   118.55       
1 1 1 37  1  14 o 1  12.3589      0.816627    831.262   -13.214      967.156   -13.214      106.43    -13.214      
1 1 1 37  1  15 o 5  1.59516      0.551046    422.193   -66.2187     ?         ?            ?         ?            
1 1 1 37  1  16 o 10 1.4259       0.560471    585.676   -52.3571     402.251   127.643      465.349   127.643      
1 1 1 37  1  17 o 18 4.59915      0.61489     232.146   -132.032     ?         ?            ?         ?            
1 1 1 37  1  18 o 10 6.9125       0.687466    518.374   -23.817      893.404   -23.817      240.782   -23.817      
1 1 1 37  1  19 o 8  1.17132      0.514204    275.744   -136.957     ?         ?            ?         ?            
1 1 1 37  3  0  o 4  11.2952      0.759775    1092.86   -57.3851     619.477   -57.3851     134.508   122.615      
1 1 1 37  3  1  o 6  53.6801      1.674       2208.61   -47.3982     1990.32   -47.3982     101.088   -47.3982     
1 1 1 37  3  2  o 5  15.7052      0.939016    700.524   145.985      1094.63   145.985      265.121   145.985      
1 1 1 37  3  3  o 12 13.5476      0.714744    1011.37   97.8808      830.535   97.8808      9.5615    97.8808      
1 1 1 37  3  4  o 17 80.3935      2.55448     1756.77   18.8696      3338.15   18.8696      965.177   18.8696      
1 1 1 37  3  5  o 6  2.57329      0.488954    1038.1    68.4271      ?         ?            ?         ?            
1 1 1 37  3  6  o 6  46.3346      2.26089     1409.31   148.175      2362.45   148.175      605.919   148.175      
1 1 1 37  3  7  o 9  37.3924      1.70968     1546.19   -92.2672     1715.22   -92.2672     211.478   -92.2672     
1 1 1 37  3  8  o 13 15.5041      1.44773     758.467   62.459       992.499   62.459       169.635   62.459       
1 1 1 37  3  9  o 18 52.482       1.81095     1498.65   83.0611      2442.78   83.0611      556.903   83.0611      
1 1 1 37  3  10 o 13 31.6989      1.60106     1651.92   -12.8927     857.295   -12.8927     318.031   167.107      
1 1 1 37  3  11 o 10 19.7216      1.05694     1312.52   -70.2725     1067.46   -70.2725     62.2153   109.728      
1 1 1 37  3  12 o 16 1.28105      0.424482    342.558   -155.641     287.922   24.3588      298.753   24.3588      
1 1 1 37  3  13 o 16 13.383       0.868797    1020.79   -179.76      603.779   -179.76      159.155   0.239536     
1 1 1 37  3  14 o 12 1.66795      0.590031    448.506   -47.3647     ?         ?            ?         ?            
1 1 1 37  3  15 o 4  2.77601      0.561892    738.109   -65.2596     165.123   114.74       420.611   114.74       
1 1 1 37  3  16 o 5  4.73651      0.592179    275.837   84.3975      543.151   84.3975      149.897   84.3975      
1 1 1 37  3  17 o 3  2.26123      0.578641    302.72    48.2091      ?         ?            ?         ?            
1 1 1 37  3  18 o 8  3.57534      0.640405    76.7192   66.0035      281.837   66.0035      110.797   66.0035      
1 1 1 37  3  19 o 17 2.80965      0.568171    133.649   -132.06      47.8304   47.9398      74.1661   47.9398      
1 1 1 37  5  0  o 12 3.38412      0.413362    835.815   137.094      102.303   -42.9063     386.004   -42.9063     
1 1 1 37  5  1  o 3  5.79783      0.868362    881.521   -85.926      130.283   94.074       418.58    94.074       
1 1 1 37  5  2  o 16 31.4001      1.13851     1480.59   96.2111      1688.34   96.2111      248.867   96.2111      
1 1 1 37  5  3  o 5  16.8388      0.776148    1316.28   145.012      796.516   145.012      134.42    -34.9876     
1 1 1 37  5  4  o 7  9.32273      0.666041    933.07    6.06169      400.292   6.06169      181.944   -173.938     
1 1 1 37  5  5  o 18 30.1555      1.57804     1141.08   88.2688      1804.15   88.2688      426.259   88.2688      
1 1 1 37  5  6  o 1  19.8083      0.83541     512.72    -166.053     1260.52   -166.053     411.347   -166.053     
1 1 1 37  5  7  o 13 14.2327      0.871019    882.161   1.36448      833.43    1.36448      30.254    1.36448      
1 1 1 37  5  8  o 4  19.4153      0.941043    872.768   -175.794     1022.7    -175.794     120.521   -175.794     
1 1 1 37  5  9  o 2  37.0901      1.51261     1619.57   149.992      1669.61   149.992      100.569   149.992      
1 1 1 37  5  10 o 12 20.4634      1.18618     1305.34   92.2006      85.9393   92.2006      549.336   -87.7994     
1 1 1 37  5  11 o 17 6.91427      0.7686      683.658   -38.3052     366.427   -38.3052     125.526   141.695      
1 1 1 37  5  12 o 18 16.154       1.0258      930.953   84.8303      684.111   84.8303      78.5485   -95.1697     
1 1 1 37  5  13 o 7  14.7432      0.917358    1164.66   -12.5911     332.725   -12.5911     365.186   167.409      
1 1 1 37  5  14 o 17 0.511442     0.408206    293.078   -53.5723     ?         ?            ?         ?            
1 1 1 37  5  15 o 13 4.50557      0.642391    518.896   108.755      207.041   108.755      127.059   -71.2449     
1 1 1 37  5  16 f 0  2.84242      0.536985    566.878   -164.072     59.775    -164.072     205.611   15.9275      
1 1 1 37  5  17 o 19 1.05437      0.453948    129.246   -18.559      44.0433   -18.559      29.0191   161.441      
1 1 1 37  5  18 o 14 2.46819      0.583569    220.534   121.295      326.125   121.295      78.9799   121.295      
1 1 1 37  7  0  o 14 14.5159      0.890541    625.529   -67.9641     851.055   -67.9641     164.34    -67.9641     
1 1 1 37  7  1  o 11 13.3331      0.724784    973.806   21.7953      794.574   21.7953      12.4979   -158.205     
1 1 1 37  7  2  o 1  69.3096      2.79796     1820.5    105.066      2848.95   105.066      649.81    105.066      
1 1 1 37  7  3  o 13 10.6233      0.903202    395.865   -61.4392     527.76    -61.4392     93.02     -61.4392     
1 1 1 37  7  4  o 2  48.295       2.24667     1352.46   -64.0552     2424.83   -64.0552     619.2     -64.0552     
1 1 1 37  7  5  o 13 15.0323      0.81661     931.466   -40.6395     568.809   -40.6395     130.648   139.361      
1 1 1 37  7  6  o 2  25.9688      1.11066     1299      46.411       1282.48   46.411       55.2124   46.411       
1 1 1 37  7  7  o 7  4.88518      0.546041    396.664   -96.0248     137.524   83.9752      248.816   83.9752      
1 1 1 37  7  8  o 5  17.2265      0.964017    497.588   -49.9361     1083.91   -49.9361     316.236   -49.9361     
1 1 1 37  7  9  o 11 5.04462      0.589505    530.497   -46.2248     264.402   -46.2248     107.453   133.775      
1 1 1 37  7  10 o 8  1.00604      0.507106    222.506   -84.246      ?         ?            ?         ?            
1 1 1 37  7  11 o 6  9.94296      1.2689      943.291   30.167       590.248   30.167       133.643   -149.833     
1 1 1 37  7  12 o 18 0.169029     0.431605    433.879   74.7152      ?         ?            ?         ?            
1 1 1 37  7  13 o 10 11.6504      0.852616    799.777   17.5656      955.357   17.5656      114.191   17.5656      
1 1 1 37  7  14 o 15 0.029299     0.444845    140.531   -15.987      ?         ?            ?         ?            
1 1 1 37  7  15 o 10 0.487457     0.414627    400.546   8.26469      ?         ?            ?         ?            
1 1 1 37  7  16 o 12 6.52512      0.700804    521.278   91.0008      869.388   91.0008      230.095   91.0008      
1 1 1 37  7  17 o 6  2.27787      0.809333    265.722   -24.4406     250.804   -24.4406     25.0727   -24.4406     
1 1 1 37  9  0  o 3  1.09022      0.348326    723.664   115.417      469.887   -64.5829     561.637   -64.5829     
1 1 1 37  9  1  f 0  11.6199      0.710298    1211.28   61.0793      495.799   61.0793      300.28    -118.921     
1 1 1 37  9  2  f 0  23.914       1.12031     490.731   -0.710847    1345.34   -0.710847    450.078   -0.710847    
1 1 1 37  9  3  o 14 2.80777      0.547244    118.269   -51.8608     73.5352   128.139      90.476    128.139      
1 1 1 37  9  4  o 15 15.9196      0.960809    1699.95   167.136      336.611   167.136      603.163   -12.8643     
1 1 1 37  9  5  o 12 4.37934      0.530438    149.741   90.2139      43.6212   90.2139      45.9801   -89.7861     
1 1 1 37  9  6  o 5  1.83453      0.45114     782.6     -22.8846     402.565   157.115      554.599   157.115      
1 1 1 37  9  7  o 9  8.8339       0.632666    686.547   165.499      465.711   165.499      76.9532   -14.5005     
1 1 1 37  9  8  o 6  22.0726      1.25161     999.379   -51.5776     1526.63   -51.5776     310.384   -51.5776     
1 1 1 37  9  9  o 13 4.10926      0.702851    722.055   -27.5083     105.606   -27.5083     277.129   152.492      
1 1 1 37  9  10 o 15 7.21578      0.669365    723.382   -119.984     491.457   -119.984     86.147    60.0155      
1 1 1 37  9  11 o 14 5.93313      0.67184     612.494   50.6261      553.203   50.6261      0.353391  -129.374     
1 1 1 37  9  12 o 4  0.975503     0.493616    232.217   69.8566      ?         ?            ?         ?            
1 1 1 37  9  13 o 3  3.54128      0.612734    484.682   -90.7337     405.829   -90.7337     4.54788   -90.7337     
1 1 1 37  9  14 o 4  1.14181      0.487074    375.418   -100.052     110.889   79.9477      203.472   79.9477      
1 1 1 37  9  15 o 13 2.11949      0.713156    435.227   137.064      272.048   137.064      30.8164   -42.9362     
1 1 1 37  11 0  o 1  0.952443     0.435219    449.459   55.0672      245.591   -124.933     325.607   -124.933     
1 1 1 37  11 1  o 2  7.46907      0.899517    1254.44   44.6109      217.878   44.6109      457.453   -135.389     
1 1 1 37  11 2  o 3  1.56191      0.519285    205.898   169.046      105.274   -10.9537     145.739   -10.9537     
1 1 1 37  11 3  o 19 10.513       0.730646    497.25    -27.2568     1006.52   -27.2568     277.781   -27.2568     
1 1 1 37  11 4  o 15 1.5571       0.436439    863.233   -6.92369     615.023   173.076      700.63    173.076      
1 1 1 37  11 5  o 2  6.13041      0.680779    446.227   49.2767      633.207   49.2767      112.39    49.2767      
1 1 1 37  11 6  o 16 1.33627      0.442851    209.094   -133.616     ?         ?            ?         ?            
1 1 1 37  11 7  o 15 1.42999      0.474042    597.566   159.947      158.339   -20.0527     352.03    -20.0527     
1 1 1 37  11 8  o 14 0.701782     0.537691    279.208   -42.4249     100.305   137.575      175.233   137.575      
1 1 1 37  11 9  o 14 2.08813      0.535247    293.356   -166.401     222.928   -166.401     15.2649   13.5992      
1 1 1 37  11 10 o 15 1.81572      0.493082    485.376   149.841      174.063   149.841      113.242   -30.1592     
1 1 1 37  11 11 o 14 1.64245      0.478848    263.713   169.594      232.752   169.594      11.461    169.594      
1 1 1 37  11 12 o 9  2.01011      0.531101    461.837   -149.187     261.316   -149.187     49.4219   30.8129      
1 1 1 37  11 13 o 14 0.366887     0.494727    185.944   29.0689      107.885   -150.931     124       -150.931     
1 1 1 37  13 0  o 3  0.513479     0.480766    189.499   165.487      85.0458   -14.5133     127.888   -14.5133     
1 1 1 37  13 1  o 5  4.26145      0.561937    478.835   143.806      510.173   143.806      40.8079   143.806      
1 1 1 37  13 2  o 16 3.12401      0.488837    186.799   62.5531      285.074   62.5531      59.8466   62.5531      
1 1 1 37  13 3  o 4  2.91755      0.544472    139.099   73.093       256.548   73.093       67.6871   73.093       
1 1 1 37  13 4  o 15 1.93901      0.550687    592.502   -49.526      86.1351   -49.526      209.417   130.474      
1 1 1 37  13 5  o 16 0.564696     0.471878    85.6975   -38.6861     30.831    141.314      50.9924   141.314      
1 1 1 37  13 6  o 13 2.19621      0.816193    604.011   -162.33      154.567   -162.33      167.023   17.6698      
1 1 1 37  13 7  o 12 1.06682      0.529016    353.062   163.615      21.2784   163.615      129.321   -16.3846     
1 1 1 37  13 8  o 9  0.46613      0.437869    334.215   -166.789     45.0677   13.2106      153.243   13.2106      
1 1 1 37  13 9  o 11 2.47444      0.521592    288.919   61.5495      416.258   61.5495      97.4155   61.5495      
1 1 1 37  13 10 o 15 0.572578     0.513045    344.553   -139.969     25.4269   40.0307      141.99    40.0307      
1 1 1 37  15 0  o 17 1.30611      0.61062     197.414   -143.278     152.384   -143.278     0.335329  36.7222      
1 1 1 37  15 1  o 9  0.59045      0.392846    260.155   101.792      13.6651   -78.2084     107.145   -78.2084     
1 1 1 37  15 2  o 7  0.690916     0.485193    349.7     -38.2738     50.375    141.726      158.812   141.726      
1 1 1 37  15 3  o 15 1.48289      0.481531    321.812   50.1571      250.078   50.1571      3.61754   50.1571      
1 1 1 37  15 4  o 8  1.12292      0.478225    380.01    10.1319      138.505   10.1319      73.2247   -169.868     
1 1 1 38  0  0  o 12 4.2845       0.662827    647.158   180          94.2301   -180         218.398   -4.07359e-14 
1 1 1 38  0  1  o 19 27.5397      1.49876     1504.31   0            1387.51   0            79.5794   0            
1 1 1 38  0  2  o 11 1.78426      0.487833    116.77    180          72.5312   2.14915e-15  83.639    9.31864e-16  
1 1 1 38  0  3  o 15 13.9         1.11194     986.314   180          1163.07   180          184.072   180          
1 1 1 38  0  4  o 19 29.2133      1.84373     80.1797   0            411.355   0            173.528   0            
1 1 1 38  0  5  o 14 5.79786      0.67811     1274.16   180          166.906   180          427.416   9.75674e-15  
1 1 1 38  0  6  o 19 3.8714       0.856972    350.79    0            0.435288  0            141.635   180          
1 1 1 38  0  7  o 11 12.1331      0.928929    838.417   180          793.443   180          51.0225   180          
1 1 1 38  0  8  o 4  24.6899      2.36568     982.501   180          1809.71   180          487.796   180          
1 1 1 38  0  9  o 12 115.543      6.05417     2642.9    0            3621.32   0            652.122   0            
1 1 1 38  0  10 o 10 2.37662      0.682151    752.567   180          552.814   1.5707e-15   614.689   7.06297e-16  
1 1 1 38  0  11 o 3  46.6718      3.55475     1671.14   180          2076.06   180          279.227   180          
1 1 1 38  0  12 o 2  2.8606       0.796551    275.244   0            ?         ?            ?         ?            
1 1 1 38  0  13 o 18 3.11257      0.67989     533.193   0            ?         ?            ?         ?            
1 1 1 38  0  14 o 1  6.48353      0.859696    712.454   180          297.701   180          175.264   1.89352e-14  
1 1 1 38  0  15 o 8  10.5059      1.50619     623.947   0            1109.2    0            268.317   0            
1 1 1 38  0  16 o 3  7.76483      0.997464    573.961   180          923.076   180          205.011   180          
1 1 1 38  0  17 o 5  2.19728      0.907741    376.516   0            ?         ?            ?         ?            
1 1 1 38  0  18 o 2  5.91682      1.09135     341.796   180          863.899   180          297.014   180          
1 1 1 38  0  19 o 6  0.318361     0.653039    262.431   180          ?         ?            ?         ?            
1 1 1 38  2  0  o 10 19.7059      0.819175    1266.15   64.0264      1089.48   64.0264      29.0086   64.0264      
1 1 1 38  2  1  o 9  1.49152      0.30534     457.082   -123.019     ?         ?            ?         ?            
1 1 1 38  2  2  o 13 1.30743      0.30446     291.272   97.5358      ?         ?            ?         ?            
1 1 1 38  2  3  o 11 5.7431       0.542355    792.426   -43.6158     141.146   -43.6158     247.52    136.384      
1 1 1 38  2  4  o 18 6.28633      0.85202     584.859   20.1721      95.2844   -159.828     281.949   -159.828     
1 1 1 38  2  5  o 19 15.3608      0.696832    974.399   173.235      941.761   173.235      78.955    173.235      
1 1 1 38  2  6  o 7  47.3666      1.93724     1855.31   11.2069      2128.49   11.2069      308.284   11.2069      
1 1 1 38  2  7  o 12 1.36752      0.699637    692.321   -164.055     ?         ?            ?         ?            
1 1 1 38  2  8  o 6  29.9963      1.27667     1488.68   -158.499     1536.94   -158.499     128.818   -158.499     
1 1 1 38  2  9  o 15 48.8008      2.19293     1382.06   29.9227      2434.85   29.9227      605.575   29.9227      
1 1 1 38  2  10 o 18 4.78944      0.592964    539.964   -52.0045     189.386   127.995      338.611   127.995      
1 1 1 38  2  11 o 7  13.0861      0.947417    1106.08   -33.3244     653.252   -33.3244     175.628   146.676      
1 1 1 38  2  12 o 13 4.03486      0.570926    785.587   -70.5973     558.383   109.403      634.239   109.403      
1 1 1 38  2  13 o 1  42.0702      1.62407     1575.48   -65.3282     1602.02   -65.3282     89.5464   -65.3282     
1 1 1 38  2  14 o 19 0.742746     0.513133    465.054   -113.566     329.684   66.4342      377.062   66.4342      
1 1 1 38  2  15 o 15 3.57755      0.81917     617.21    126.636      249.278   126.636      158.105   -53.364      
1 1 1 38  2  16 o 11 2.58179      0.555167    211.183   177.183      ?         ?            ?         ?            
1 1 1 38  2  17 o 9  0.68089      0.529532    347.223   75.9573      ?         ?            ?         ?            
1 1 1 38  2  18 o 14 0.0673354    0.415957    302.273   99.8272      ?         ?            ?         ?            
1 1 1 38  2  19 o 8  1.97932      0.532148    485.204   -85.5503     ?         ?            ?         ?            
1 1 1 38  4  0  o 7  4.58559      0.501952    844.023   -155.375     64.7392   -155.375     306.241   24.6254      
1 1 1 38  4  1  o 16 58.6525      1.75036     1361.18   149.544      2841.59   149.544      875.355   149.544      
1 1 1 38  4  2  o 4  28.9717      1.34423     2118.78   -41.6185     1029.57   -41.6185     334.256   138.382      
1 1 1 38  4  3  o 18 17.3027      1.01967     845.663   29.7807      1245.65   29.7807      282.914   29.7807      
1 1 1 38  4  4  o 11 18.9795      0.837151    286.775   66.9537      782.912   66.9537      275.242   66.9537      
1 1 1 38  4  5  f 0  20.7684      1.14967     1369.06   -69.59       969.659   -69.59       78.4213   110.41       
1 1 1 38  4  6  o 12 111.591      3.5093      2348.01   45.0233      3762.24   45.0233      893.299   45.0233      
1 1 1 38  4  7  o 6  8.9585       0.615363    187.162   -116.223     209.102   -116.223     23.6514   -116.223     
1 1 1 38  4  8  o 19 73.573       2.93963     2343.98   -174.35      2500.37   -174.35      210.244   -174.35      
1 1 1 38  4  9  o 4  30.7627      1.32725     741.319   -96.9334     1947.11   -96.9334     638.706   -96.9334     
1 1 1 38  4  10 o 1  11.6405      1.00407     923.46    -19.3954     685.8     -19.3954     76.4669   160.605      
1 1 1 38  4  11 o 16 33.8199      1.31192     960.203   61.671       2046.3    61.671       588.827   61.671       
1 1 1 38  4  12 o 14 18.9862      0.970705    598.156   148.976      1302.74   148.976      381.466   148.976      
1 1 1 38  4  13 o 14 1.30524      0.578801    402.194   102.2        ?         ?            ?         ?            
1 1 1 38  4  14 o 17 8.32068      0.817334    715.851   -147.411     580.535   32.5894      618.752   32.5894      
1 1 1 38  4  15 o 2  9.85629      0.745877    580.8     -37.4477     860.337   -37.4477     168.978   -37.4477     
1 1 1 38  4  16 o 2  2.34597      0.546645    408.463   29.6747      281.833   -150.325     313.402   -150.325     
1 1 1 38  4  17 f 0  4.92271      0.598491    455.195   -165.532     607.667   -165.532     122.8     -165.532     
1 1 1 38  4  18 o 15 1.14454      0.536803    124.673   2.75316      103.927   2.75316      3.92447   2.75316      
1 1 1 38  6  0  o 6  5.57734      0.47012     860.421   35.2955      100.255   35.2955      300.666   -144.705     
1 1 1 38  6  1  o 2  29.0781      1.35019     1344.02   -93.4149     1402.46   -93.4149     149.872   -93.4149     
1 1 1 38  6  2  o 19 4.78878      0.523498    532.378   -171.594     22.3758   -171.594     209.343   8.4063       
1 1 1 38  6  3  o 17 5.73152      0.623222    1366.82   105.911      605.939   -74.0893     877.015   -74.0893     
1 1 1 38  6  4  o 10 20.8319      1.18655     1141.94   53.2192      1157.43   53.2192      90.5664   53.2192      
1 1 1 38  6  5  o 6  39.6272      1.52251     1421.75   90.1057      1845.66   90.1057      302.749   90.1057      
1 1 1 38  6  6  o 7  21.7988      1.03124     933.958   -110.447     1410.02   -110.447     289.701   -110.447     
1 1 1 38  6  7  o 11 16.159       0.919026    897.15    -108.076     408.849   -108.076     200.356   71.9242      
1 1 1 38  6  8  o 18 13.4353      0.874288    486.074   -96.8405     595.065   -96.8405     76.834    -96.8405     
1 1 1 38  6  9  o 4  14.9732      0.837394    1032.28   -13.4963     950.252   -13.4963     7.23605   -13.4963     
1 1 1 38  6  10 o 11 32.9759      1.51602     659.78    -62.1056     2145.74   -62.1056     775.085   -62.1056     
1 1 1 38  6  11 o 19 24.7225      1.8395      1598.16   -162.695     1205.78   -162.695     119.572   17.3047      
1 1 1 38  6  12 o 6  23.3613      1.12974     798.979   -169.371     1625.07   -169.371     447.793   -169.371     
1 1 1 38  6  13 o 14 1.20015      0.46806     91.721    142.528      ?         ?            ?         ?            
1 1 1 38  6  14 f 0  5.52789      0.65118     518.441   73.7919      533.327   73.7919      35.1637   73.7919      
1 1 1 38  6  15 o 7  -0.0995182   0.502642    156.123   178.647      ?         ?            ?         ?            
1 1 1 38  6  16 o 16 3.08281      0.581472    323.547   -36.2683     260.521   -36.2683     1.7273    -36.2683     
1 1 1 38  6  17 o 7  2.42455      0.69602     252.158   29.7661      260.025   29.7661      32.7535   29.7661      
1 1 1 38  8  0  o 15 10.0519      0.673477    875.594   159.329      471.257   159.329      150.438   -20.6709     
1 1 1 38  8  1  o 17 12.1188      0.788829    817.209   48.6697      598.352   48.6697      63.3948   -131.33      
1 1 1 38  8  2  o 12 10.8307      0.808745    807.56    -129.416     525.992   -129.416     97.9878   50.5835      
1 1 1 38  8  3  o 5  0.695093     0.48283     433.244   -177.106     ?         ?            ?         ?            
1 1 1 38  8  4  o 12 12.104       0.801108    660.531   28.3658      821.766   28.3658      111.693   28.3658      
1 1 1 38  8  5  o 10 6.73154      0.79248     879.804   -20.7046     309.843   -20.7046     244.607   159.295      
1 1 1 38  8  6  o 1  12.6515      0.83449     558.158   -89.1127     840.257   -89.1127     166.962   -89.1127     
1 1 1 38  8  7  o 18 30.1979      1.75564     1157.77   144.691      1711.61   144.691      332.465   144.691      
1 1 1 38  8  8  o 11 22.2444      1.10529     1547.99   143.212      1069.92   143.212      163.379   -36.7881     
1 1 1 38  8  9  o 3  18.4006      1.11199     1012.42   -160.917     1059.44   -160.917     71.3686   -160.917     
1 1 1 38  8  10 o 1  3.33537      0.794592    477.667   -18.3763     125.756   161.624      281.048   161.624      
1 1 1 38  8  11 o 5  5.19152      0.663075    366.432   -136.089     264.509   -136.089     35.8381   43.9114      
1 1 1 38  8  12 o 10 24.6469      1.3247      734.166   -66.1536     1953.72   -66.1536     646.067   -66.1536     
1 1 1 38  8  13 o 2  0.679138     0.476111    195.805   -81.203      ?         ?            ?         ?            
1 1 1 38  8  14 o 14 8.54736      0.782443    797.287   103.449      811.766   103.449      83.4123   103.449      
1 1 1 38  8  15 o 4  -0.234285    0.49838     104.209   38.0051      ?         ?            ?         ?            
1 1 1 38  8  16 o 2  1.67247      0.694021    204.716   41.0716      255.431   41.0716      50.4905   41.0716      
1 1 1 38  10 0  o 15 9.78052      0.790101    441.176   100.052      663.695   100.052      132.059   100.052      
1 1 1 38  10 1  o 11 14.6446      1.06994     1282.06   -21.7887     723.767   -21.7887     218.08    158.211      
1 1 1 38  10 2  o 6  7.19302      0.683483    672.73    -10.5234     297.086   -10.5234     155.364   169.477      
1 1 1 38  10 3  o 8  0.429234     0.361559    832.829   41.6574      ?         ?            ?         ?            
1 1 1 38  10 4  o 17 5.14496      0.546046    1038.55   -67.1717     136.25    112.828      536.739   112.828      
1 1 1 38  10 5  o 6  3.7989       0.536075    650.812   178.273      59.2327   178.273      264.718   -1.72724     
1 1 1 38  10 6  f 0  14.3078      0.815261    658.373   101.61       1146.38   101.61       273.875   101.61       
1 1 1 38  10 7  f 0  7.4572       0.700528    118.897   24.7044      370.437   24.7044      130.808   24.7044      
1 1 1 38  10 8  o 16 5.49977      0.805918    450.641   47.7544      539.146   47.7544      62.8384   47.7544      
1 1 1 38  10 9  o 17 0.166567     0.429912    281.306   -128.045     174.912   51.9551      215.099   51.9551      
1 1 1 38  10 10 o 10 3.90143      0.680165    169.954   45.0992      395.646   45.0992      123.167   45.0992      
1 1 1 38  10 11 o 18 -0.134958    0.47168     209.744   -24.0584     ?         ?            ?         ?            
1 1 1 38  10 12 o 2  1.51618      0.515894    276.051   5.6301       170.938   5.6301       24.9039   -174.37      
1 1 1 38  10 13 o 10 0.632374     0.458571    63.1562   153.985      ?         ?            ?         ?            
1 1 1 38  10 14 o 9  1.2737       0.698742    300.415   39.0936      123.198   39.0936      51.6366   -140.906     
1 1 1 38  12 0  o 4  1.30214      0.489949    528.663   68.1341      154.573   -111.866     319.636   -111.866     
1 1 1 38  12 1  o 3  0.685631     0.385742    211.701   100.265      141.056   -79.7348     167.655   -79.7348     
1 1 1 38  12 2  o 8  0.931868     0.400269    330.778   67.1292      201.148   -112.871     252.33    -112.871     
1 1 1 38  12 3  o 7  7.75157      0.748712    888.893   158.415      593.06    158.415      110.293   -21.5855     
1 1 1 38  12 4  o 12 2.5094       0.619038    665.294   -163.313     32.0899   -163.313     286.225   16.687       
1 1 1 38  12 5  o 1  5.20486      0.662674    587.813   -45.7862     549.784   -45.7862     11.8585   -45.7862     
1 1 1 38  12 6  o 3  3.16903      0.619319    728.976   94.5687      173.685   94.5687      231.197   -85.4313     
1 1 1 38  12 7  o 11 2.17184      0.682282    332.922   137.729      168.169   137.729      56.2761   -42.2712     
1 1 1 38  12 8  o 17 3.35148      0.643489    135.883   165.722      224.505   165.722      56.9775   165.722      
1 1 1 38  12 9  o 7  0.807347     0.459       275.042   -76.1454     16.1705   103.855      117.073   103.855      
1 1 1 38  12 10 o 3  1.92945      0.588401    59.6869   -50.4956     73.2588   -50.4956     13.3623   -50.4956     
1 1 1 38  12 11 o 2  2.46687      0.572813    367.647   -12.2775     335.634   -12.2775     28.651    -12.2775     
1 1 1 38  14 0  o 16 0.571984     0.423451    378.018   114.045      95.6334   -65.9549     200.971   -65.9549     
1 1 1 38  14 1  o 4  1.9808       0.513752    339.046   -66.1878     287.312   -66.1878     7.30076   -66.1878     
1 1 1 38  14 2  o 16 0.391661     0.421762    299.661   165.327      105.515   -14.6732     172.236   -14.6732     
1 1 1 38  14 3  o 13 2.76461      0.539311    426.275   -142.228     438.124   -142.228     50.5368   -142.228     
1 1 1 38  14 4  o 17 0.471782     0.431028    271.628   93.5836      85.5687   -86.4164     149.342   -86.4164     
1 1 1 38  14 5  o 4  -0.301456    0.441635    200.051   76.2083      95.6224   -103.792     125.548   -103.792     
1 1 1 38  14 6  o 1  0.635562     0.431893    222.243   -49.3322     30.7709   -49.3322     69.4779   130.668      
1 1 1 38  14 7  o 9  0.484761     0.461637    242.508   -68.212      43.04     111.788      112.385   111.788      
1 1 1 39  1  0  o 9  3.344        0.374044    1574.28   159.736      505.901   -20.2637     893.194   -20.2637     
1 1 1 39  1  1  o 6  31.4408      1.17418     1771.53   0.977089     1348.08   0.977089     43.2705   -179.023     
1 1 1 39  1  2  o 14 6.12138      0.472257    881.735   -119.279     57.6092   -119.279     326.408   60.7205      
1 1 1 39  1  3  o 1  2.77116      0.36811     489.985   -23.3124     190.291   156.688      291.693   156.688      
1 1 1 39  1  4  o 13 29.8861      1.26449     1134.28   61.4116      1744.47   61.4116      417.739   61.4116      
1 1 1 39  1  5  o 16 8.69427      0.689471    1164.74   50.483       344.974   50.483       296.657   -129.517     
1 1 1 39  1  6  o 16 13.5741      0.824992    800.06    154.189      847.895   154.189      97.0532   154.189      
1 1 1 39  1  7  o 16 29.0231      1.82495     1190.32   121.844      1613.82   121.844      308.739   121.844      
1 1 1 39  1  8  o 10 23.1449      1.30843     829.007   -80.7415     1407.02   -80.7415     345.855   -80.7415     
1 1 1 39  1  9  o 3  5.4822       0.668539    437.636   -77.8427     169.302   102.157      279.009   102.157      
1 1 1 39  1  10 o 5  25.2536      1.33331     1059.42   92.2757      1569.84   92.2757      305.682   92.2757      
1 1 1 39  1  11 o 10 41.4153      1.71036     972.99    171.624      2247.88   171.624      682.227   171.624      
1 1 1 39  1  12 o 14 55.2712      2.09896     1432.31   -172.983     2576.44   -172.983     641.232   -172.983     
1 1 1 39  1  13 o 18 5.3657       0.659798    466.022   148.836      362.505   148.836      29.3269   -31.1639     
1 1 1 39  1  14 o 10 1.30933      0.554838    184.205   -113.661     ?         ?            ?         ?            
1 1 1 39  1  15 o 6  10.7296      0.744715    637.655   -139.569     978.496   -139.569     197.538   -139.569     
1 1 1 39  1  16 o 6  5.55366      0.856171    224.96    -67.6686     684.24    -67.6686     243.399   -67.6686     
1 1 1 39  1  17 o 5  4.10355      0.631309    368.479   -164.094     281.134   -164.094     9.86366   15.9055      
1 1 1 39  1  18 o 1  5.51517      0.686629    241.611   20.8222      842.904   20.8222      326.797   20.8222      
1 1 1 39  1  19 o 9  3.08666      0.585651    381.557   38.4478      407.726   38.4478      60.8105   38.4478      
1 1 1 39  3  0  o 19 44.3103      1.79914     1925.21   174.951      1811.09   174.951      131.224   174.951      
1 1 1 39  3  1  o 19 27.2521      1.23127     1082.08   69.6226      1655.5    69.6226      393.531   69.6226      
1 1 1 39  3  2  o 2  17.3348      0.863509    1114.8    7.70457      1076.22   7.70457      91.4684   7.70457      
1 1 1 39  3  3  o 16 33.4423      1.39021     1277.32   51.7617      1839.32   51.7617      407.412   51.7617      
1 1 1 39  3  4  o 4  60.6715      2.13307     2159.17   167.208      2416.26   167.208      337.17    167.208      
1 1 1 39  3  5  f 0  41.7326      2.58756     1013.44   -89.839      2323.62   -89.839      747.693   -89.839      
1 1 1 39  3  6  o 9  56.7547      2.70963     1916.09   -49.9091     2343.11   -49.9091     371.994   -49.9091     
1 1 1 39  3  7  o 5  9.81781      0.645849    274.226   129.371      308.37    129.371      36.6      129.371      
1 1 1 39  3  8  o 17 81.6315      3.64083     2088.62   10.2414      2953.04   10.2414      555.536   10.2414      
1 1 1 39  3  9  o 15 99.1473      3.90125     1616.06   -143.596     3879.91   -143.596     1212.19   -143.596     
1 1 1 39  3  10 o 18 11.7617      0.798617    746.873   148.508      793.066   148.508      57.3901   148.508      
1 1 1 39  3  11 o 5  3.8414       0.533623    498.398   116.825      119.356   -63.1753     285.338   -63.1753     
1 1 1 39  3  12 o 18 39.6536      1.75909     1272.23   39.8164      2047.21   39.8164      449.665   39.8164      
1 1 1 39  3  13 o 10 15.7132      1.09041     950.477   42.6895      1116.71   42.6895      126.812   42.6895      
1 1 1 39  3  14 o 5  1.41156      0.522887    464.383   88.1159      345.131   -91.8841     385.603   -91.8841     
1 1 1 39  3  15 o 19 1.50439      0.509556    428.877   -147.422     ?         ?            ?         ?            
1 1 1 39  3  16 o 13 4.83664      0.615527    730.444   -88.8751     430.941   -88.8752     95.619    91.1248      
1 1 1 39  3  17 o 9  3.83552      0.91627     402.55    -70.5027     493.384   -70.5027     85.8987   -70.5027     
1 1 1 39  3  18 o 7  3.43049      0.547108    137.353   176.957      511.792   176.957      202.739   176.957      
1 1 1 39  5  0  o 8  10.6545      0.703052    681.246   -104.109     644.153   -104.109     47.7156   -104.109     
1 1 1 39  5  1  o 14 13.6861      1.09001     768.905   40.5797      894.315   40.5797      136.272   40.5797      
1 1 1 39  5  2  o 9  3.17512      0.405032    924.365   41.1284      226.158   -138.872     489.473   -138.872     
1 1 1 39  5  3  o 17 13.1249      0.771338    891.368   -56.5982     851.254   -56.5982     58.5135   -56.5982     
1 1 1 39  5  4  o 14 1.46597      0.450185    604.879   167.436      ?         ?            ?         ?            
1 1 1 39  5  5  o 6  2.3753       0.411895    315.907   -9.03027     ?         ?            ?         ?            
1 1 1 39  5  6  o 9  11.8609      0.846849    543.576   -169.949     712.701   -169.949     118.53    -169.949     
1 1 1 39  5  7  o 9  12.4122      0.783784    372.103   31.4771      623.662   31.4771      145.625   31.4771      
1 1 1 39  5  8  o 5  2.24094      0.491919    604.808   120.231      421.299   -59.7691     484.411   -59.7691     
1 1 1 39  5  9  o 4  12.8268      1.06015     413.63    -92.4385     269.939   -92.4385     52.8482   87.5615      
1 1 1 39  5  10 f 0  8.57794      0.769108    1099.52   -23.6199     146.027   -23.6199     424.258   156.38       
1 1 1 39  5  11 o 16 5.08329      0.558405    635.03    44.8075      74.7489   44.8075      249.144   -135.193     
1 1 1 39  5  12 o 16 14.7257      1.01895     719.879   12.3578      1122.04   12.3578      234.004   12.3578      
1 1 1 39  5  13 o 18 29.667       1.2928      1039.57   160.194      1918.57   160.194      482.414   160.194      
1 1 1 39  5  14 o 10 10.1746      0.911333    340.005   44.0229      1158.8    44.0229      425.289   44.0229      
1 1 1 39  5  15 o 13 1.22027      0.471456    408.043   91.8916      ?         ?            ?         ?            
1 1 1 39  5  16 o 7  0.934186     0.46898     138.199   132.366      83.0232   -47.6338     97.1783   -47.6338     
1 1 1 39  5  17 o 19 2.29009      0.524322    215.396   -30.8957     363.356   -30.8957     97.6822   -30.8957     
1 1 1 39  5  18 o 10 1.9819       0.903777    127.279   146.758      ?         ?            ?         ?            
1 1 1 39  7  0  o 15 43.0265      1.64357     1708.28   114.996      1793.06   114.996      166.413   114.996      
1 1 1 39  7  1  o 8  20.4605      1.34289     834.444   -43.3664     1325.33   -43.3664     303.079   -43.3664     
1 1 1 39  7  2  o 15 3.73587      0.71051     514.675   -98.9606     239.177   81.0394      343.805   81.0394      
1 1 1 39  7  3  o 11 16.6423      1.08302     1353.63   -163.451     727.822   -163.451     233.279   16.5486      
1 1 1 39  7  4  o 16 4.87677      0.569652    986.464   173.531      359.293   -6.46861     620.369   -6.46861     
1 1 1 39  7  5  o 16 9.24189      0.879913    896.119   123.672      185.883   123.672      311.53    -56.3282     
1 1 1 39  7  6  o 8  3.51904      0.573969    468.56    116.603      46.2556   -63.3973     235.787   -63.3973     
1 1 1 39  7  7  o 3  15.1333      0.8253      670.735   137.904      425.716   137.904      91.5285   -42.0961     
1 1 1 39  7  8  o 9  6.48775      0.704926    761.179   103.724      228.55    103.724      229.876   -76.2764     
1 1 1 39  7  9  o 11 3.57762      0.587154    991.394   52.2239      64.9197   -127.776     479.714   -127.776     
1 1 1 39  7  10 o 4  3.61464      0.849909    444.075   51.3413      48.7837   51.3413      176.851   -128.659     
1 1 1 39  7  11 o 10 6.18098      0.658521    575.687   -63.2759     476.005   -63.2759     25.4129   116.724      
1 1 1 39  7  12 o 14 1.64735      0.509814    196.17    -149.684     19.9979   -149.684     79.8165   30.3162      
1 1 1 39  7  13 o 11 0.479438     0.46171     307.885   156.41       ?         ?            ?         ?            
1 1 1 39  7  14 o 9  5.44838      0.670379    316.313   3.57084      718.814   3.57084      226.879   3.57084      
1 1 1 39  7  15 o 16 1.89703      0.528613    141.987   41.4623      ?         ?            ?         ?            
1 1 1 39  7  16 o 11 2.95212      0.728061    209.067   164.016      337.117   164.016      87.6516   164.016      
1 1 1 39  7  17 o 19 4.94316      0.91566     317.376   -105.371     809.604   -105.371     284.095   -105.371     
1 1 1 39  9  0  o 5  11.8628      0.842942    495.554   -69.4781     733.632   -69.4781     141.91    -69.4781     
1 1 1 39  9  1  o 12 17.8481      0.991245    812.226   -152.245     1237.16   -152.245     249.748   -152.245     
1 1 1 39  9  2  o 13 2.97533      0.540079    451.389   52.9761      32.2449   -127.024     221.077   -127.024     
1 1 1 39  9  3  o 15 7.87236      0.63099     262.281   -74.7807     298.701   -74.7807     30.4069   -74.7807     
1 1 1 39  9  4  o 3  4.32796      0.567438    734.978   -35.6047     80.2759   144.395      372.693   144.395      
1 1 1 39  9  5  o 9  5.87467      0.553273    946.555   -43.7898     28.0616   136.21       441.322   136.21       
1 1 1 39  9  6  o 16 1.7792       0.562581    418.474   -49.8194     96.8514   130.181      237.25    130.181      
1 1 1 39  9  7  o 11 1.73464      0.494161    537.207   34.0422      189.772   -145.958     338.136   -145.958     
1 1 1 39  9  8  o 3  15.5106      0.860758    971.215   176.855      1166.61   176.855      140.291   176.855      
1 1 1 39  9  9  o 9  24.7122      1.67597     683.679   94.3677      1959.93   94.3677      666.275   94.3677      
1 1 1 39  9  10 o 9  0.534028     0.479306    443.301   139.718      ?         ?            ?         ?            
1 1 1 39  9  11 o 13 0.61937      0.521919    308.134   -78.935      ?         ?            ?         ?            
1 1 1 39  9  12 o 10 2.44899      0.512107    130.831   -163.387     219.742   -163.387     55.1388   -163.387     
1 1 1 39  9  13 o 4  1.5457       0.565292    325.585   118.669      115.465   118.669      72.1982   -61.3307     
1 1 1 39  9  14 o 2  1.4249       0.529107    165.437   -66.158      ?         ?            ?         ?            
1 1 1 39  9  15 o 2  2.3027       0.774428    313.677   -15.843      194.956   -15.843      20.1179   164.157      
1 1 1 39  11 0  o 16 1.88407      0.507845    740.722   -68.3572     197.089   111.643      433.737   111.643      
1 1 1 39  11 1  o 17 6.53681      0.614154    963.487   -162.557     363.286   -162.557     255.09    17.443       
1 1 1 39  11 2  o 6  2.26548      0.535288    159.627   63.4033      119.177   -116.597     132.142   -116.597     
1 1 1 39  11 3  o 18 12.7543      1.00235     857.466   51.3562      1024.71   51.3562      121.168   51.3562      
1 1 1 39  11 4  f 0  4.17958      0.597362    876.245   88.0351      169.088   88.0351      316.783   -91.9649     
1 1 1 39  11 5  o 2  9.59824      0.936603    490.443   -109.389     1009.43   -109.389     279.665   -109.389     
1 1 1 39  11 6  o 3  1.17227      0.56006     338.893   -22.2287     283.709   157.771      296.686   157.771      
1 1 1 39  11 7  o 3  2.48769      0.666715    470.732   45.3223      235.126   45.3223      94.0881   -134.678     
1 1 1 39  11 8  o 18 1.28344      0.525958    335.116   -160.874     42.5787   19.1257      167.333   19.1257      
1 1 1 39  11 9  o 13 2.66396      0.554276    233.897   118.659      295.067   118.659      49.8474   118.659      
1 1 1 39  11 10 o 1  1.22102      0.537843    630.245   -21.5197     59.9506   158.48       283.059   158.48       
1 1 1 39  11 11 o 15 0.969517     0.47135     183.124   -110.191     28.1157   -110.191     57.8257   69.8092      
1 1 1 39  11 12 o 14 0.433946     0.503873    112.713   -172.794     ?         ?            ?         ?            
1 1 1 39  11 13 o 16 2.1427       0.826755    285.338   126.887      266.721   126.887      24.4683   126.887      
1 1 1 39  13 0  o 17 0.256295     0.461629    263.13    -61.1928     137.964   118.807      184.914   118.807      
1 1 1 39  13 1  o 18 2.17607      0.548623    251.157   15.6628      201.113   15.6628      9.05294   -164.337     
1 1 1 39  13 2  o 15 5.94078      0.644299    663.052   -46.4127     602.01    -46.4127     15.6894   -46.4127     
1 1 1 39  13 3  o 11 1.02687      0.429564    259.263   165.339      37.9399   -14.6606     128.461   -14.6606     
1 1 1 39  13 4  o 8  1.07959      0.443565    491.113   -173.723     69.9025   6.27744      237.817   6.27744      
1 1 1 39  13 5  o 12 1.5185       0.541457    24.252    -146.342     25.8431   -146.342     3.12456   -146.342     
1 1 1 39  13 6  o 10 2.15495      0.537357    353.948   -17.6066     342.779   -17.6066     30.9597   -17.6066     
1 1 1 39  13 7  o 2  0.311836     0.462332    103.187   2.13209      22.8897   -177.868     51.8732   -177.868     
1 1 1 39  13 8  f 0  0.121788     0.472277    147.572   20.031       48.7482   -159.969     81.2471   -159.969     
1 1 1 39  13 9  o 8  1.43141      0.566103    194.606   67.3522      232.137   67.3522      43.0683   67.3522      
1 1 1 39  15 0  o 5  1.62578      0.54672     349.861   -32.5397     240.51    -32.5397     12.9086   147.46       
1 1 1 39  15 1  o 9  1.46973      0.456983    165.895   116.321      247.684   116.321      61.1638   116.321      
1 1 1 39  15 2  o 5  0.922809     0.550065    182.953   167.025      122.898   167.025      7.15647   -12.9752     
1 1 1 39  15 3  o 19 1.40344      0.52824     96.7767   -140.024     162.373   -140.024     44.6659   -140.024     
1 1 1 40  0  0  o 7  4.3788       0.669217    922.82    -2.37724e-14 71.9994   2.46642e-13  337.503   180          
1 1 1 40  0  1  o 19 0.265051     0.31809     309.744   180          237.918   3.49754e-16  243.847   1.70625e-16  
1 1 1 40  0  2  o 5  8.19662      0.684497    887.735   0            629.367   0            41.8373   180          
1 1 1 40  0  3  o 3  1.39041      0.528984    136.969   180          69.1006   4.12795e-15  89.4266   1.59485e-15  
1 1 1 40  0  4  o 2  0.458919     0.435035    5.4871    0            ?         ?            ?         ?            
1 1 1 40  0  5  o 15 10.1108      0.866021    1365.16   0            212.625   0            446.274   180          
1 1 1 40  0  6  o 14 -0.0518548   0.536224    208.339   0            ?         ?            ?         ?            
1 1 1 40  0  7  o 8  110.094      9.07713     2874.86   0            3334.69   0            451.757   0            
1 1 1 40  0  8  o 14 4.4731       0.762754    53.1882   0            ?         ?            ?         ?            
1 1 1 40  0  9  o 16 46.0067      3.43188     1554.26   180          2376.37   180          493.097   180          
1 1 1 40  0  10 o 18 64.3569      3.8507      1729.05   0            2887.29   0            659.585   0            
1 1 1 40  0  11 o 18 71.749       4.18502     1869.95   0            2982.35   0            643.112   0            
1 1 1 40  0  12 o 9  45.0377      2.2615      1159.28   0            2637.54   0            795.603   0            
1 1 1 40  0  13 o 5  13.6214      1.2169      854.349   180          1236.04   180          231.227   180          
1 1 1 40  0  14 o 8  1.16228      0.624752    217.784   0            ?         ?            ?         ?            
1 1 1 40  0  15 o 14 4.98536      1.32137     219.788   0            432.991   0            116.408   0            
1 1 1 40  0  16 o 13 5.24955      1.09191     76.4278   180          268.832   180          101.35    180          
1 1 1 40  0  17 f 0  6.05313      1.08132     90.6433   180          532.501   180          229.684   180          
1 1 1 40  0  18 o 15 1.9124       0.820099    259.846   0            ?         ?            ?         ?            
1 1 1 40  0  19 f 0  5.30032      0.989516    326.552   180          718.434   180          236.271   180          
1 1 1 40  2  0  o 9  4.58672      0.395446    834.129   -112.79      74.9405   -112.79      298.37    67.2103      
1 1 1 40  2  1  o 3  3.89011      0.418245    1086.31   99.6559      ?         ?            ?         ?            
1 1 1 40  2  2  o 14 11.5653      0.852743    668.792   -32.7072     771.193   -32.7072     117.595   -32.7072     
1 1 1 40  2  3  o 18 13.7153      0.971968    929.075   32.7251      571.543   32.7251      86.6673   -147.275     
1 1 1 40  2  4  o 6  9.9327       0.628181    1065.76   -7.82368     381.89    -7.82368     238.51    172.176      
1 1 1 40  2  5  o 18 17.8078      0.998712    734.176   56.1244      1104.69   56.1244      252.813   56.1244      
1 1 1 40  2  6  o 10 12.6664      1.10795     798.841   150.301      52.2306   -29.6994     358.838   -29.6994     
1 1 1 40  2  7  o 9  22.6734      1.43494     898.038   8.69407      1416.8    8.69407      324.018   8.69407      
1 1 1 40  2  8  o 17 23.1968      1.73314     1175.02   -63.0718     1333.01   -63.0718     149.056   -63.0718     
1 1 1 40  2  9  o 17 9.81183      0.712102    621.618   164.557      533.098   164.557      13.2077   -15.4432     
1 1 1 40  2  10 o 1  29.7641      1.34121     1340.74   77.1693      1580.92   77.1693      181.691   77.1693      
1 1 1 40  2  11 o 14 9.84686      0.761017    418.053   -31.0606     407.978   -31.0606     14.6796   -31.0606     
1 1 1 40  2  12 o 13 7.4186       0.68961     501.768   59.9464      ?         ?            ?         ?            
1 1 1 40  2  13 o 16 2.71277      0.637428    609.728   99.3548      ?         ?            ?         ?            
1 1 1 40  2  14 o 16 4.63491      0.649076    528.311   29.5646      469.532   29.5646      7.58854   -150.435     
1 1 1 40  2  15 f 0  8.31794      0.913779    397.622   20.1139      633.336   20.1139      136.885   20.1139      
1 1 1 40  2  16 o 15 11.4935      0.951759    724.387   28.6911      1037.97   28.6911      210.375   28.6911      
1 1 1 40  2  17 o 12 4.80539      0.631154    654.249   -66.2158     464.075   -66.2158     29.3082   113.784      
1 1 1 40  2  18 o 12 3.88997      0.609647    372.58    -108.971     630.85    -108.971     171.24    -108.971     
1 1 1 40  4  0  o 9  37.7212      1.46674     1714.37   -49.6371     1686.35   -49.6371     155.77    -49.6371     
1 1 1 40  4  1  o 7  76.0612      2.18233     1753.87   -134.924     3114.26   -134.924     852.479   -134.924     
1 1 1 40  4  2  f 0  3.15969      0.417919    320.619   -140.441     36.4563   39.5592      147.64    39.5592      
1 1 1 40  4  3  o 14 8.2778       0.775138    1022.27   166.569      96.4204   -13.4309     464.472   -13.4309     
1 1 1 40  4  4  o 1  18.2388      1.26845     1213.91   -79.1401     1045.63   -79.1401     21.3971   -79.1401     
1 1 1 40  4  5  o 10 11.5718      0.878784    1359.43   -139.493     439.437   -139.493     353.217   40.5065      
1 1 1 40  4  6  o 2  10.5766      0.721352    1060.39   129.213      543.157   129.213      186.303   -50.7867     
1 1 1 40  4  7  o 13 29.4341      1.65048     1675.85   -35.8189     1232.88   -35.8189     124.93    144.181      
1 1 1 40  4  8  o 5  3.84029      0.654805    310.188   130.227      64.262    -49.7732     171.885   -49.7732     
1 1 1 40  4  9  o 12 6.58969      0.681076    710.351   3.61248      129.132   -176.388     387.094   -176.388     
1 1 1 40  4  10 o 2  31.4712      1.27343     733.578   -136.054     2123.02   -136.054     729.154   -136.054     
1 1 1 40  4  11 o 7  19.6128      1.05223     1174.87   -76.4684     1199.74   -76.4684     69.7997   -76.4684     
1 1 1 40  4  12 o 8  40.5591      1.7717      937.701   -122.636     2230.9    -122.636     690.75    -122.636     
1 1 1 40  4  13 o 5  3.0884       0.629281    492.401   22.7311      ?         ?            ?         ?            
1 1 1 40  4  14 o 13 1.61446      0.518975    257.865   -33.1911     ?         ?            ?         ?            
1 1 1 40  4  15 o 17 5.2441       0.643842    239.018   44.4254      675.301   44.4254      233.295   44.4254      
1 1 1 40  4  16 o 7  9.75835      0.779506    547.689   120.912      1148.05   120.912      350.763   120.912      
1 1 1 40  4  17 o 7  5.36608      0.761966    183.011   -80.3587     803.749   -80.3587     330.13    -80.3587     
1 1 1 40  4  18 o 13 6.78016      0.851573    235.734   155.835      1049.73   155.835      436.29    155.835      
1 1 1 40  6  0  o 9  4.76501      0.648508    798.255   0.450374     5.99361   -179.55      335.088   -179.55      
1 1 1 40  6  1  o 14 13.8041      0.914977    685.778   -132.742     917.204   -132.742     170.969   -132.742     
1 1 1 40  6  2  o 12 1.45081      0.420007    152.846   -161.887     ?         ?            ?         ?            
1 1 1 40  6  3  o 15 11.2931      1.01665     611.058   29.4877      355.688   29.4877      85.3046   -150.512     
1 1 1 40  6  4  o 16 46.5365      1.85488     1886.93   -172.321     1963.87   -172.321     155.572   -172.321     
1 1 1 40  6  5  o 2  23.5725      1.3058      1497.64   -137.209     1085.35   -137.209     124.1     42.7909      
1 1 1 40  6  6  o 9  8.50124      0.702212    1491.71   -75.3102     150.121   104.69       747.828   104.69       
1 1 1 40  6  7  o 7  102.314      3.62771     2012.6    42.3226      3618.67   42.3226      895.79    42.3226      
1 1 1 40  6  8  o 19 11.7434      0.912607    865.122   -32.554      361.552   -32.554      211.651   147.446      
1 1 1 40  6  9  o 10 48.2006      1.95109     1400.95   164.78       2312.4    164.78       523.369   164.78       
1 1 1 40  6  10 o 7  29.7517      1.30141     820.72    -156.764     1706.24   -156.764     482.655   -156.764     
1 1 1 40  6  11 o 18 21.6379      1.38441     898.679   -41.2584     1523.85   -41.2584     353.247   -41.2584     
1 1 1 40  6  12 o 15 0.798031     0.430351    266.649   109.672      ?         ?            ?         ?            
1 1 1 40  6  13 o 3  2.87998      0.55735     547.665   -96.7702     224.154   -96.7702     136.422   83.2298      
1 1 1 40  6  14 o 14 14.4907      0.966392    589.51    -125.615     1392.91   -125.615     441.509   -125.615     
1 1 1 40  6  15 o 1  7.17422      0.709275    627.723   -67.361      647.989   -67.361      69.3122   -67.361      
1 1 1 40  6  16 o 7  1.67613      0.525646    134.027   -165.316     126.888   -165.316     10.9334   -165.316     
1 1 1 40  6  17 o 16 1.62966      0.681635    218.271   132.762      246.966   132.762      41.3794   132.762      
1 1 1 40  8  0  o 11 31.644       1.56705     1810.81   -140.447     1167.07   -140.447     228.064   39.5527      
1 1 1 40  8  1  o 4  12.5155      0.787138    265.465   42.0251      347.293   42.0251      54.165    42.0251      
1 1 1 40  8  2  o 14 8.13319      0.66969     385.65    -25.5329     400.362   -25.5329     25.8432   -25.5329     
1 1 1 40  8  3  o 16 9.27128      0.688653    848.046   12.4946      426.148   12.4946      171.588   -167.505     
1 1 1 40  8  4  o 15 21.9515      1.10614     778.316   107.827      1271.43   107.827      282.256   107.827      
1 1 1 40  8  5  o 1  12.0918      0.770688    1486.69   -148.319     393.838   -148.319     477.273   31.6814      
1 1 1 40  8  6  o 17 0.918827     0.407122    192.645   131.314      ?         ?            ?         ?            
1 1 1 40  8  7  o 8  21.0721      1.19473     305.992   -2.35315     1459.41   -2.35315     591.662   -2.35315     
1 1 1 40  8  8  o 12 11.9709      0.922444    701.89    18.0138      1041.25   18.0138      203.24    18.0138      
1 1 1 40  8  9  o 11 4.98332      0.811329    153.071   176.921      162.181   176.921      11.3425   176.921      
1 1 1 40  8  10 o 5  5.13264      0.679033    526.651   106.817      267.245   106.817      108.008   -73.1826     
1 1 1 40  8  11 f 0  20.2868      1.0261      783.928   47.4484      1546.34   47.4484      416.491   47.4484      
1 1 1 40  8  12 o 2  1.90366      0.525431    134.594   158.676      60.9829   -21.3241     89.4939   -21.3241     
1 1 1 40  8  13 o 9  -0.335681    0.426532    320.705   134.827      254.951   -45.1731     260.136   -45.1731     
1 1 1 40  8  14 o 2  0.347735     0.46157     259.778   -107.951     194.498   72.0492      200.122   72.0492      
1 1 1 40  8  15 o 2  -0.187786    0.810572    83.723    13.2909      ?         ?            ?         ?            
1 1 1 40  8  16 o 6  1.45824      0.620231    427.667   -100.456     52.1131   -100.456     137.191   79.5442      
1 1 1 40  10 0  o 18 15.3456      0.86645     496.788   -152.892     1170.15   -152.892     360.751   -152.892     
1 1 1 40  10 1  f 0  3.12399      0.686003    346.581   133.144      65.185    -46.8562     188.991   -46.8562     
1 1 1 40  10 2  o 13 14.2508      1.03809     1240.71   -142.467     765.309   -142.467     177.063   37.5327      
1 1 1 40  10 3  o 6  2.09149      0.474185    1086.18   -162.548     829.186   17.4523      904.957   17.4523      
1 1 1 40  10 4  o 16 11.6599      0.907597    1276.16   74.02        494.541   74.02        330.362   -105.98      
1 1 1 40  10 5  o 18 13.7095      0.923219    842.998   25.3117      1116.91   25.3117      175.033   25.3117      
1 1 1 40  10 6  o 11 24.5508      1.39923     682.042   -83.6933     1857.21   -83.6933     616.549   -83.6933     
1 1 1 40  10 7  o 17 2.51042      0.547176    358.807   -106.09      85.0944   -106.09      122.093   73.91        
1 1 1 40  10 8  o 1  1.52268      0.670293    235.093   -77.8798     94.5984   102.12       154.361   102.12       
1 1 1 40  10 9  o 2  3.37292      0.620615    549.563   134.699      355.232   134.699      66.2871   -45.3006     
1 1 1 40  10 10 o 4  -0.0823896   0.47084     607.284   -168.719     ?         ?            ?         ?            
1 1 1 40  10 11 o 1  0.616061     0.493544    61.4279   -6.71466     5.30143   173.285      27.5316   173.285      
1 1 1 40  10 12 o 1  -0.253052    0.456846    310.192   -13.6206     ?         ?            ?         ?            
1 1 1 40  10 13 o 14 1.42788      0.593557    258.654   -113.486     78.9531   -113.486     59.8082   66.514       
1 1 1 40  10 14 o 8  1.38773      0.731495    296.881   -133.763     52.6064   -133.763     87.1207   46.2373      
1 1 1 40  12 0  o 3  4.83668      0.560223    486.017   175.97       473.868   175.97       14.0586   175.97       
1 1 1 40  12 1  o 6  2.22517      0.444225    765.036   -27.8304     62.5612   152.17       381.542   152.17       
1 1 1 40  12 2  o 15 0.973141     0.431028    725.776   -121.28      465.84    58.7204      563.881   58.7204      
1 1 1 40  12 3  o 4  0.355778     0.442055    213.756   -29.8864     173.013   150.114      183.176   150.114      
1 1 1 40  12 4  o 13 1.26358      0.486307    269.253   1.37808      7.97554   1.37808      115.981   -178.622     
1 1 1 40  12 5  o 10 4.40057      0.592897    566.286   107.747      497.922   107.747      2.42821   107.747      
1 1 1 40  12 6  o 2  5.23429      0.749389    449.889   -51.4776     713.923   -51.4776     167.033   -51.4776     
1 1 1 40  12 7  o 7  2.61441      0.628632    472.845   -57.8086     237.068   -57.8086     74.597    122.191      
1 1 1 40  12 8  o 16 0.393531     0.429381    391.486   -123.666     ?         ?            ?         ?            
1 1 1 40  12 9  o 19 0.416957     0.424803    232.081   11.0687      50.5626   -168.931     116.134   -168.931     
1 1 1 40  12 10 o 5  0.578518     0.487252    336.684   114.814      29.9788   -65.186      143.853   -65.186      
1 1 1 40  12 11 o 9  1.29425      0.537009    354.38    -92.4802     91.3772   -92.4802     87.9545   87.5198      
1 1 1 40  14 0  o 18 1.55183      0.589199    304.522   126.528      165.539   126.528      38.2816   -53.4724     
1 1 1 40  14 1  o 6  1.01934      0.451645    196.994   -31.5705     50.0579   -31.5705     52.9055   148.429      
1 1 1 40  14 2  o 2  0.370708     0.441065    116.397   81.3212      32.691    -98.6787     62.1459   -98.6787     
1 1 1 40  14 3  o 16 4.88126      0.636716    429.78    -5.25216     753.452   -5.25216     208.646   -5.25216     
1 1 1 40  14 4  o 3  0.667888     0.485064    424.395   45.0456      76.631    -134.954     202.784   -134.954     
1 1 1 40  14 5  o 15 -0.727464    0.432091    136.693   -171.37      70.6565   8.62973      87.4414   8.62973      
1 1 1 40  14 6  o 12 1.50334      0.54776     349.16    117.314      240.967   117.314      10.3553   -62.6864     
1 1 1 41  1  0  o 16 6.86579      0.625002    924.351   105.967      299.76    105.967      221.85    -74.0326     
1 1 1 41  1  1  o 12 44.0047      1.54516     1782.17   157.59       2102.52   157.59       336.224   157.59       
1 1 1 41  1  2  o 3  62.8976      2.03443     1895.6    57.0453      2675.7    57.0452      578.416   57.0452      
1 1 1 41  1  3  o 1  16.2317      1.07938     1060.6    -123.659     877.047   -123.659     13.0679   -123.659     
1 1 1 41  1  4  o 6  9.50861      0.669502    1043.56   -65.9012     421.593   -65.9012     210.507   114.099      
1 1 1 41  1  5  o 17 13.9395      0.906869    800.244   48.0324      838.027   48.0324      91.4866   48.0324      
1 1 1 41  1  6  o 11 25.8331      1.98979     690.522   -20.6083     1700.59   -20.6083     561.465   -20.6083     
1 1 1 41  1  7  f 0  131.578      4.18861     3078.57   -152.776     3631.64   -152.776     492.105   -152.776     
1 1 1 41  1  8  o 13 14.1005      1.00798     866.282   -143.494     696.418   -143.494     34.7289   36.5064      
1 1 1 41  1  9  o 13 33.9374      1.47228     919.149   37.0082      1950.92   37.0082      560.944   37.0082      
1 1 1 41  1  10 o 2  44.5114      1.88264     1321.27   -143.852     2280.66   -143.852     540.301   -143.852     
1 1 1 41  1  11 o 9  37.3023      1.64584     1525.77   68.1604      1821.12   68.1604      220.119   68.1604      
1 1 1 41  1  12 o 9  2.35844      0.51866     302.107   -23.0773     ?         ?            ?         ?            
1 1 1 41  1  13 o 14 22.4904      1.26052     1292.42   -18.6771     1159.51   -18.6771     7.74056   161.323      
1 1 1 41  1  14 o 8  13.7067      0.984022    509.72    74.3715      1338.01   74.3715      435.112   74.3715      
1 1 1 41  1  15 o 1  9.40336      0.973632    431.279   142.43       1060.82   142.43       336.268   142.43       
1 1 1 41  1  16 o 7  4.34365      0.636705    492.546   173.665      557.201   173.665      70.4097   173.665      
1 1 1 41  1  17 o 9  9.5119       0.833313    355.863   78.6042      1122.85   78.6042      419.877   78.6042      
1 1 1 41  1  18 o 1  13.8094      0.935878    595.22    148.44       1348.13   148.44       444.764   148.44       
1 1 1 41  3  0  o 7  20.8066      0.909957    524.29    126.614      1351.94   126.614      465.925   126.614      
1 1 1 41  3  1  o 2  38.9089      1.63057     1863.78   162.233      1639.73   162.233      72.566    162.233      
1 1 1 41  3  2  o 9  38.1106      1.53508     1244.1    172.143      2138.38   172.143      568.816   172.143      
1 1 1 41  3  3  f 0  27.4293      1.16477     449.637   -107.57      1621.06   -107.57      628.402   -107.57      
1 1 1 41  3  4  o 18 5.60796      0.653113    622.447   57.0418      167.325   -122.958     339.017   -122.958     
1 1 1 41  3  5  o 5  3.65757      0.775875    1225.53   -176.202     318.033   3.79849      671.515   3.79849      
1 1 1 41  3  6  o 19 39.5233      1.60312     966.902   124.871      1983.73   124.871      577.518   124.871      
1 1 1 41  3  7  o 7  61.6839      2.83176     1761.04   121.724      2578.55   121.724      514.924   121.724      
1 1 1 41  3  8  o 9  9.87821      0.759487    490.15    101.401      106.075   -78.5995     273.122   -78.5995     
1 1 1 41  3  9  o 16 4.32305      0.672542    284.374   75.8208      26.4947   75.8208      115.786   -104.179     
1 1 1 41  3  10 o 10 21.4071      1.17385     1012.02   -148.804     1409.73   -148.804     245.962   -148.804     
1 1 1 41  3  11 o 1  19.728       1.20854     957.029   174.022      1272.14   174.022      204.131   174.022      
1 1 1 41  3  12 o 6  0.936799     0.523641    372.443   -129.417     ?         ?            ?         ?            
1 1 1 41  3  13 o 14 9.29537      0.781353    402.049   -154.181     756.02    -154.181     194.151   -154.181     
1 1 1 41  3  14 o 3  14.2583      0.897933    430.231   -170.699     1420.7    -170.699     513.594   -170.699     
1 1 1 41  3  15 o 8  11.4607      0.822318    442.722   -106.836     1264.28   -106.836     437.464   -106.836     
1 1 1 41  3  16 o 9  1.8123       0.614134    237.137   110.643      84.3561   -69.3566     139.48    -69.3566     
1 1 1 41  3  17 o 19 18.0955      1.11866     882.57    104.869      1583.73   104.869      445.046   104.869      
1 1 1 41  3  18 f 0  2.89447      0.577191    154.294   4.16981      265.874   4.16981      74.726    4.16981      
1 1 1 41  5  0  o 8  28.804       1.18608     1289.73   96.6296      1513.84   96.6296      229.88    96.6296      
1 1 1 41  5  1  o 5  15.1163      1.03814     1015.16   51.2104      979.159   51.2104      71.8656   51.2104      
1 1 1 41  5  2  o 12 6.50157      0.626052    559.206   -160.329     43.6124   -160.329     210.734   19.6714      
1 1 1 41  5  3  o 6  3.05748      0.721963    495.48    -52.0568     382.556   127.943      400.347   127.943      
1 1 1 41  5  4  o 10 28.3434      1.18596     1295.69   11.5449      1034.07   11.5449      39.7222   -168.455     
1 1 1 41  5  5  o 17 4.73663      0.624082    704.461   30.0835      40.6857   30.0835      288.468   -149.917     
1 1 1 41  5  6  o 4  10.8802      0.828407    1036.66   176.913      554.9     176.913      185.419   -3.08686     
1 1 1 41  5  7  o 7  3.09254      0.615751    573.138   -176.438     393.853   3.56212      456.105   3.56212      
1 1 1 41  5  8  o 14 1.37054      0.465842    268.228   -160.13      ?         ?            ?         ?            
1 1 1 41  5  9  o 7  4.15313      0.530756    793.533   69.5929      ?         ?            ?         ?            
1 1 1 41  5  10 o 8  3.77031      0.58794     554.578   140.13       151.617   140.13       174.394   -39.8697     
1 1 1 41  5  11 o 6  8.79302      0.975119    539.918   -161.183     ?         ?            ?         ?            
1 1 1 41  5  12 o 8  9.3793       0.752361    816.658   -77.8551     144.88    -77.8551     301.17    102.145      
1 1 1 41  5  13 o 19 12.1604      0.897475    827.54    -127.62      1059.4    -127.62      151.089   -127.62      
1 1 1 41  5  14 o 18 5.73652      0.706347    495.806   67.3459      702.226   67.3459      132.012   67.3459      
1 1 1 41  5  15 o 2  2.92419      0.591983    540.782   -150.515     331.364   -150.515     58.2002   29.4849      
1 1 1 41  5  16 o 7  16.5039      0.958913    730.964   -42.411      1587.61   -42.411      505.188   -42.411      
1 1 1 41  5  17 o 6  2.87504      0.841091    341.018   59.2214      134.073   59.2214      63.2289   -120.779     
1 1 1 41  7  0  o 5  25.6339      1.25129     828.501   -22.9701     1509.93   -22.9701     392.426   -22.9701     
1 1 1 41  7  1  o 9  19.4969      1.05987     1211.4    144.533      846.812   144.533      110.568   -35.4674     
1 1 1 41  7  2  f 0  9.08069      1.02283     876.023   -10.5865     69.4681   169.414      424.315   169.414      
1 1 1 41  7  3  o 3  6.17814      0.59633     329.522   -102.582     107.115   -102.582     94.3201   77.4185      
1 1 1 41  7  4  o 19 32.0467      1.44171     1353.27   -24.1414     1621.66   -24.1414     198.99    -24.1414     
1 1 1 41  7  5  o 5  4.96273      0.598181    475.897   5.45172      90.8303   5.45172      170.619   -174.548     
1 1 1 41  7  6  o 11 10.5936      0.737266    684.71    31.1406      773.145   31.1406      75.8276   31.1406      
1 1 1 41  7  7  o 17 32.9083      1.56923     983.255   -113.553     1937.2    -113.553     523.848   -113.553     
1 1 1 41  7  8  o 10 11.4465      0.857173    1018.11   4.39761      182.05    4.39761      368.287   -175.602     
1 1 1 41  7  9  o 16 1.74487      0.590731    378.269   -127.657     ?         ?            ?         ?            
1 1 1 41  7  10 o 5  1.33809      0.518021    247.008   -148.572     ?         ?            ?         ?            
1 1 1 41  7  11 o 6  0.684864     0.462686    163.314   121.996      ?         ?            ?         ?            
1 1 1 41  7  12 o 7  2.38251      0.562445    374.583   25.8647      65.1053   25.8647      136.577   -154.135     
1 1 1 41  7  13 o 9  1.79529      0.534699    481.402   31.7653      50.3022   31.7653      181.88    -148.235     
1 1 1 41  7  14 o 12 2.14102      0.559489    320.801   -148.128     285.937   -148.128     12.9971   -148.128     
1 1 1 41  7  15 o 4  1.59072      0.544332    202.752   179.394      1.18738   179.394      78.893    -0.605793    
1 1 1 41  7  16 f 0  0.276575     0.704237    293.113   6.5037       ?         ?            ?         ?            
1 1 1 41  9  0  o 17 55.2479      1.93022     1953.03   -23.4925     2014.53   -23.4925     120.752   -23.4925     
1 1 1 41  9  1  o 3  3.70706      0.621722    1003.65   107.238      184.01    -72.7622     547.212   -72.7622     
1 1 1 41  9  2  o 15 1.01918      0.430848    219.647   167.68       ?         ?            ?         ?            
1 1 1 41  9  3  o 9  8.06686      0.761981    597.908   140.393      567.136   140.393      13.3038   140.393      
1 1 1 41  9  4  o 2  4.91082      0.621069    140.97    159.413      123.606   159.413      1.81178   -20.5866     
1 1 1 41  9  5  o 3  5.58303      0.652036    778.624   57.5979      122.1     57.5979      290.324   -122.402     
1 1 1 41  9  6  o 11 5.32854      0.688228    489.723   -167.349     136.86    -167.349     153.293   12.6508      
1 1 1 41  9  7  o 8  17.8475      1.0227      622.531   -71.0761     1524.28   -71.0761     478.425   -71.0761     
1 1 1 41  9  8  o 14 8.307        1.06082     613.044   -167.192     810.815   -167.192     124.265   -167.192     
1 1 1 41  9  9  o 1  2.86837      0.556315    377.955   -21.4735     259.877   -21.4735     42.8661   158.526      
1 1 1 41  9  10 o 18 6.63891      0.763868    516.785   102.289      786.822   102.289      162.611   102.289      
1 1 1 41  9  11 o 4  3.67984      0.588528    852.805   148.139      57.5518   148.139      334.78    -31.8606     
1 1 1 41  9  12 o 15 -0.15306     0.425629    315.206   40.0442      ?         ?            ?         ?            
1 1 1 41  9  13 o 17 3.2147       0.630438    454.026   -28.0754     502.192   -28.0754     72.6752   -28.0754     
1 1 1 41  9  14 o 4  1.359        0.989307    322.459   137.315      ?         ?            ?         ?            
1 1 1 41  11 0  f 0  1.43789      0.489792    775.166   54.5713      297.135   -125.429     501.335   -125.429     
1 1 1 41  11 1  o 16 6.14622      0.644398    304.535   -178.144     547.972   -178.144     135.091   -178.144     
1 1 1 41  11 2  o 10 22.4637      1.06207     1018.65   80.8952      1568.98   80.8952      318.595   80.8952      
1 1 1 41  11 3  o 11 9.82371      0.753688    311.831   -92.8112     1032.85   -92.8112     373.436   -92.8112     
1 1 1 41  11 4  o 1  14.4951      1.0229      1050.14   -127.46      1028.18   -127.46      32.332    -127.46      
1 1 1 41  11 5  o 16 0.0323048    0.409636    280.442   76.045       218.452   -103.955     237.244   -103.955     
1 1 1 41  11 6  o 7  1.54362      0.510807    195.285   -82.9992     11.5376   97.0008      93.6154   97.0008      
1 1 1 41  11 7  o 9  3.65269      0.621546    182.769   -126.124     362.875   -126.124     101.463   -126.124     
1 1 1 41  11 8  o 19 1.31349      0.482341    257.05    40.2759      52.8898   40.2759      81.7641   -139.724     
1 1 1 41  11 9  o 2  4.49518      0.688133    822.229   -81.4133     271.601   -81.4133     197.061   98.5867      
1 1 1 41  11 10 o 9  0.43024      0.435115    244.611   95.2944      105.851   -84.7056     149.438   -84.7056     
1 1 1 41  11 11 o 2  3.32967      0.617485    483.479   118.89       462.558   118.89       44.0862   118.89       
1 1 1 41  11 12 o 17 1.52378      0.580612    219.566   -166.367     258.747   -166.367     47.0908   -166.367     
1 1 1 41  13 0  o 6  0.83585      0.439549    150.817   121.176      13.4958   -58.8244     71.2403   -58.8244     
1 1 1 41  13 1  o 18 2.06103      0.53972     675.05    166.406      93.3537   166.406      238.805   -13.5941     
1 1 1 41  13 2  o 15 2.61754      0.587956    323.469   27.9886      383.332   27.9886      56.8976   27.9886      
1 1 1 41  13 3  f 0  1.26865      0.480603    415.16    -88.954      53.7241   -88.954      143.091   91.046       
1 1 1 41  13 4  f 0  0.373121     0.496105    241.321   38.4679      58.8163   -141.532     126.458   -141.532     
1 1 1 41  13 5  o 14 2.40414      0.713305    135.582   146.79       235.502   146.79       64.0259   146.79       
1 1 1 41  13 6  o 10 0.609001     0.487243    226.607   176.216      15.8583   -3.78397     96.7354   -3.78397     
1 1 1 41  13 7  o 15 1.16306      0.479711    289.115   72.9645      94.4282   72.9645      64.4833   -107.035     
1 1 1 41  13 8  o 5  0.713848     0.491452    234.714   59.2403      20.0806   59.2403      78.3338   -120.76      
1 1 1 41  15 0  o 14 -0.0381072   0.446986    337.665   -101.468     105.516   78.5319      179.28    78.5319      
1 1 1 41  15 1  o 12 0.924896     0.48421     176.797   112.912      113.077   112.912      10.0754   -67.0876     
1 1 1 42  0  0  o 7  7.81769      0.840532    639.244   9.87857e-14  519.194   -9.75753e-14 3.18059   -1.59281e-11 
1 1 1 42  0  1  o 19 4.18586      0.774267    775.89    0            39.1746   0            291.286   180          
1 1 1 42  0  2  f 0  5.97288      1.59959     266.719   0            135.984   0            38.9136   180          
1 1 1 42  0  3  o 2  23.0835      1.3162      1581.78   0            1394.03   0            60.5974   0            
1 1 1 42  0  4  o 3  32.6783      1.83103     1511.34   180          1864.64   180          318.519   180          
1 1 1 42  0  5  o 19 35.4002      4.32148     883.896   0            1869.54   0            569.803   0            
1 1 1 42  0  6  o 11 3.2435       1.83993     626.268   0            245.14    180          387.335   180          
1 1 1 42  0  7  o 15 26.0311      1.43645     1139.98   0            1817.01   0            413.132   0            
1 1 1 42  0  8  o 17 30.2571      2.03233     1092.01   180          1799.15   180          412.986   180          
1 1 1 42  0  9  o 5  1.85314      0.692143    540.233   0            390.674   180          439.863   180          
1 1 1 42  0  10 o 17 35.3114      2.35625     589.646   0            2608.36   0            1036.49   0            
1 1 1 42  0  11 f 0  20.2727      1.61158     752.67    180          1774.38   180          547.085   180          
1 1 1 42  0  12 o 3  50.3893      2.66108     809.903   0            3204.39   0            1236.48   0            
1 1 1 42  0  13 o 14 3.68088      0.959266    98.6231   180          71.6854   1.7865e-15   80.8112   7.92378e-16  
1 1 1 42  0  14 o 15 1.55056      1.00409     30.4192   0            ?         ?            ?         ?            
1 1 1 42  0  15 o 4  0.820486     0.753686    118.978   0            71.563    180          88.7608   180          
1 1 1 42  0  16 o 16 18.6907      1.66184     655.45    0            1769.54   0            612.063   0            
1 1 1 42  0  17 o 5  3.27961      0.837601    68.6868   180          ?         ?            ?         ?            
1 1 1 42  0  18 o 18 11.3057      1.15446     673.85    0            1298.72   0            392.551   0            
1 1 1 42  2  0  o 5  44.3379      1.62042     1230.83   -78.408      2284.72   -78.408      649.268   -78.408      
1 1 1 42  2  1  o 16 45.6441      1.67606     2351.12   -23.2902     1691.49   -23.2902     96.6434   156.71       
1 1 1 42  2  2  o 10 17.4009      0.784352    493.137   52.4123      960.8     52.4123      282.199   52.4123      
1 1 1 42  2  3  o 10 28.1242      1.31556     1206.98   -172.307     1621.28   -172.307     322.267   -172.307     
1 1 1 42  2  4  o 19 8.03387      0.699617    775.583   139.988      260.808   -40.0118     448.152   -40.0118     
1 1 1 42  2  5  o 6  18.8013      1.22728     268.934   -121.751     714.812   -121.751     245.107   -121.751     
1 1 1 42  2  6  o 1  19.4037      0.982935    1039.05   99.8355      1153.39   99.8355      132.027   99.8355      
1 1 1 42  2  7  o 2  33.8111      2.11115     724.394   17.1362      1987.65   17.1362      675.614   17.1362      
1 1 1 42  2  8  o 6  25.6881      1.16902     892.727   27.1853      1593.75   27.1853      396.231   27.1853      
1 1 1 42  2  9  o 18 15.6039      0.947532    624.645   -110.483     755.283   -110.483     94.2413   -110.483     
1 1 1 42  2  10 o 10 46.9746      1.72019     1742.25   -11.9457     1905.31   -11.9457     162.569   -11.9457     
1 1 1 42  2  11 o 10 22.2318      1.17224     806.346   -34.8556     1621.13   -34.8556     446.618   -34.8556     
1 1 1 42  2  12 o 9  3.16697      0.566256    353.194   -39.4301     133.247   -39.4301     93.1314   140.57       
1 1 1 42  2  13 o 2  6.09571      0.823162    737.976   172.659      ?         ?            ?         ?            
1 1 1 42  2  14 f 0  0.765957     0.548696    413.293   155.56       238.156   -24.4398     308.087   -24.4398     
1 1 1 42  2  15 o 14 11.2918      1.12912     99.5849   -22.1631     847.223   -22.1631     379.831   -22.1631     
1 1 1 42  2  16 o 9  0.675082     0.482009    249.277   -100.244     ?         ?            ?         ?            
1 1 1 42  2  17 o 19 6.07241      0.69003     308.739   133.844      718.898   133.844      238.153   133.844      
1 1 1 42  2  18 o 15 4.0242       0.598624    345.145   1.09237      190.581   1.09237      34.8498   -178.908     
1 1 1 42  4  0  o 7  20.6893      1.12703     1409.21   -74.6687     1024.21   -74.6687     58.253    105.331      
1 1 1 42  4  1  o 9  51.9446      1.75529     1690.95   -20.0979     2182.35   -20.0979     403.013   -20.0979     
1 1 1 42  4  2  o 14 1.56618      0.424428    724.026   76.0882      ?         ?            ?         ?            
1 1 1 42  4  3  o 13 9.09518      1.36632     648.663   -28.523      153.066   -28.523      193.454   151.477      
1 1 1 42  4  4  o 16 30.4556      1.87824     1286.74   53.6902      1411.49   53.6902      160.444   53.6902      
1 1 1 42  4  5  o 17 12.5005      0.72802     981.52    36.6928      542.034   36.6928      153.902   -143.307     
1 1 1 42  4  6  o 1  95.5579      3.6573      2159.86   -138.003     3364.85   -138.003     727.055   -138.003     
1 1 1 42  4  7  o 7  15.7116      1.02773     827.444   -165.647     868.395   -165.647     61.8793   -165.647     
1 1 1 42  4  8  o 18 3.36695      0.539303    666.547   2.95996      212.852   -177.04      408.919   -177.04      
1 1 1 42  4  9  o 8  18.3715      1.0148      1102.55   173.41       922.133   173.41       38.978    -6.59023     
1 1 1 42  4  10 o 14 14.0248      0.862208    836.029   64.0148      885.168   64.0148      65.1192   64.0148      
1 1 1 42  4  11 o 16 16.0418      1.1502      909.447   45.5596      206.83    45.5596      307.482   -134.44      
1 1 1 42  4  12 o 7  0.895333     0.50579     468.472   96.6223      360.87    -83.3777     394.131   -83.3777     
1 1 1 42  4  13 o 16 4.87833      0.671631    679.438   176.997      207.87    176.997      207.685   -3.00338     
1 1 1 42  4  14 o 18 8.871        0.825416    98.4925   29.7426      376.937   29.7426      144.418   29.7426      
1 1 1 42  4  15 o 5  2.5364       0.546437    288.499   43.5973      319.522   43.5973      38.5419   43.5973      
1 1 1 42  4  16 o 10 5.22672      0.768362    595.993   -173.588     646.707   -173.588     86.534    -173.588     
1 1 1 42  4  17 o 11 6.33837      0.672263    412.391   -59.7477     827.044   -59.7477     254.496   -59.7477     
1 1 1 42  6  0  o 15 18.163       1.04477     390.843   173.515      907.23    173.515      286.903   173.515      
1 1 1 42  6  1  o 1  1.5176       0.469407    657.06    -164.899     ?         ?            ?         ?            
1 1 1 42  6  2  o 9  21.8617      1.17952     956.924   38.3554      1389.67   38.3554      278.326   38.3554      
1 1 1 42  6  3  o 1  19.2677      1.16716     1082.73   30.0233      1105.99   30.0233      75.4918   30.0233      
1 1 1 42  6  4  o 9  2.56495      0.448795    1137.48   -53.6343     548.284   126.366      782.354   126.366      
1 1 1 42  6  5  o 10 11.0852      0.817514    762.22    50.5647      599.76    50.5647      44.2273   -129.435     
1 1 1 42  6  6  o 13 12.3141      0.902332    944.496   67.6692      796.423   67.6692      30.5001   -112.331     
1 1 1 42  6  7  o 8  19.4037      1.28392     1199.67   -168.52      470.589   -168.52      309.048   11.4802      
1 1 1 42  6  8  o 8  1.83513      0.481723    553.681   168.049      182.497   -11.951      341.519   -11.951      
1 1 1 42  6  9  o 19 16.6993      0.921061    914.469   22.8263      1150.63   22.8263      162.739   22.8263      
1 1 1 42  6  10 o 4  16.1608      1.22031     720.285   71.7289      1038.15   71.7289      192.433   71.7289      
1 1 1 42  6  11 o 17 9.64819      0.752713    163.203   161.893      41.191    161.893      54.1345   -18.1066     
1 1 1 42  6  12 o 3  12.6252      0.945884    790.25    -45.4169     1081.25   -45.4169     179.244   -45.4169     
1 1 1 42  6  13 o 4  3.70034      0.644496    644.069   -12.5487     326.254   -12.5487     121.939   167.451      
1 1 1 42  6  14 o 3  1.83598      0.5274      256.27    124.613      94.0647   -55.3867     153.706   -55.3867     
1 1 1 42  6  15 o 15 7.83548      0.73285     615.593   52.5672      908.091   52.5672      210.048   52.5672      
1 1 1 42  6  16 o 12 3.88919      0.778118    290.311   139.293      582.179   139.293      179.233   139.293      
1 1 1 42  8  0  o 15 17.5531      1.09015     543.249   91.4913      1117.13   91.4913      312.625   91.4913      
1 1 1 42  8  1  o 1  11.3145      0.917735    1105.27   -43.5803     575.562   -43.5803     213.492   136.42       
1 1 1 42  8  2  o 14 16.56        1.04574     943.711   160.847      970.129   160.847      56.5506   160.847      
1 1 1 42  8  3  o 11 38.2394      1.92402     2001.67   -31.2181     1440.32   -31.2181     188.606   148.782      
1 1 1 42  8  4  o 19 7.38119      0.75552     698.621   -124.914     263.108   -124.914     185.052   55.0863      
1 1 1 42  8  5  o 8  2.443        0.520737    230.967   -66.5813     11.9596   113.419      110.362   113.419      
1 1 1 42  8  6  f 0  11.0028      0.983197    1156.6    91.1184      253.165   91.1184      395.197   -88.8816     
1 1 1 42  8  7  o 6  4.29034      0.916605    343.08    131.961      151.854   131.961      79.1362   -48.0393     
1 1 1 42  8  8  o 19 3.58923      0.609614    264.436   32.7886      240.283   32.7886      0.171285  -147.211     
1 1 1 42  8  9  o 15 9.2804       0.750216    550.241   -28.1127     823.557   -28.1127     159.537   -28.1127     
1 1 1 42  8  10 o 14 1.83942      0.526291    316.731   -26.9094     27.4018   -26.9094     131.106   153.091      
1 1 1 42  8  11 o 2  1.97631      0.551088    789.333   -138.691     ?         ?            ?         ?            
1 1 1 42  8  12 o 4  0.80017      0.516754    539.099   -166.187     337.015   13.8128      396.327   13.8128      
1 1 1 42  8  13 o 15 0.330195     0.505968    62.596    -168.132     ?         ?            ?         ?            
1 1 1 42  8  14 o 16 -0.167122    0.455287    417.714   40.1227      ?         ?            ?         ?            
1 1 1 42  8  15 o 1  -0.286811    0.892685    239.699   -123.522     ?         ?            ?         ?            
1 1 1 42  10 0  f 0  24.903       1.26689     1580.59   92.9328      1086.96   92.9328      169.644   -87.0672     
1 1 1 42  10 1  o 19 11.1729      0.767399    400.675   -174.12      984.853   -174.12      311.551   -174.12      
1 1 1 42  10 2  o 16 20.5715      1.02596     798.646   2.85195      1590.77   2.85195      434.319   2.85195      
1 1 1 42  10 3  o 18 21.167       1.05931     1075.39   8.70531      1433.16   8.70531      228.976   8.70531      
1 1 1 42  10 4  o 4  6.45947      0.624827    164.625   -150.75      341.883   -150.75      95.9595   -150.75      
1 1 1 42  10 5  o 1  14.8646      0.974612    751.056   -144.764     1282.03   -144.764     297.201   -144.764     
1 1 1 42  10 6  o 16 7.21531      0.677979    450.758   147.763      777.081   147.763      181.707   147.763      
1 1 1 42  10 7  o 7  5.17871      0.785098    163.5     80.0986      339.325   80.0986      95.1019   80.0986      
1 1 1 42  10 8  o 2  1.3848       0.519735    557.967   -11.0801     49.0658   168.92       273.58    168.92       
1 1 1 42  10 9  o 16 2.4336       0.563421    430.428   -83.1267     160.204   -83.1267     104.7     96.8733      
1 1 1 42  10 10 o 5  1.11404      0.530245    241.664   -25.878      188.317   154.122      193.22    154.122      
1 1 1 42  10 11 o 5  0.702751     0.50124     175.834   -120.462     10.4784   -120.462     64.4413   59.5383      
1 1 1 42  10 12 o 15 0.32638      0.701036    488.464   -159.663     135.398   20.3368      257.429   20.3368      
1 1 1 42  10 13 o 9  0.623468     0.732607    559.932   90.1665      98.8786   -89.8335     259.385   -89.8335     
1 1 1 42  12 0  o 3  3.49478      0.579106    332.414   62.8208      355.737   62.8208      26.6625   62.8208      
1 1 1 42  12 1  o 2  0.576656     0.445509    467.63    -169.407     421.835   10.5927      422.515   10.5927      
1 1 1 42  12 2  o 12 1.1771       0.51952     305.164   46.6537      107.205   -133.346     190.422   -133.346     
1 1 1 42  12 3  f 0  0.647002     0.490831    141.764   120.934      83.6296   -59.0661     104.444   -59.0661     
1 1 1 42  12 4  o 12 1.83503      0.496882    494.378   -22.6024     101.856   -22.6024     162.853   157.398      
1 1 1 42  12 5  f 0  2.4478       0.540142    147.562   -171.849     244.915   -171.849     60.3745   -171.849     
1 1 1 42  12 6  o 14 3.77684      0.590726    525.634   115.059      512.521   115.059      41.5323   115.059      
1 1 1 42  12 7  o 8  1.4256       0.562885    94.7649   113.423      72.9866   113.423      1.28128   -66.5768     
1 1 1 42  12 8  f 0  0.242159     0.445149    429.655   116.237      ?         ?            ?         ?            
1 1 1 42  12 9  o 4  2.14084      0.518307    514.5     79.4947      294.045   79.4947      51.2764   -100.505     
1 1 1 42  12 10 o 2  -0.481389    0.426146    254.098   -73.4177     ?         ?            ?         ?            
1 1 1 42  14 0  f 0  0.871291     0.591894    100.52    -96.3094     32.7708   -96.3094     23.0827   83.6906      
1 1 1 42  14 1  o 1  0.430772     0.43284     52.2784   -87.3658     7.6599    92.6342      24.2823   92.6342      
1 1 1 42  14 2  o 2  0.77113      0.435158    146.186   131.832      32.7863   131.832      40.4793   -48.1679     
1 1 1 42  14 3  o 5  2.3443       0.551269    139.929   -98.4918     372.022   -98.4918     132.091   -98.4918     
1 1 1 42  14 4  o 6  1.28947      0.60263     135.231   -175.662     149.374   -175.662     23.3879   -175.662     
1 1 1 42  14 5  o 14 0.510401     0.500588    288.081   -51.4993     21.3761   128.501      118.637   128.501      
1 1 1 43  1  0  o 11 24.9811      1.07773     900.265   -22.7022     1574.29   -22.7022     426.453   -22.7022     
1 1 1 43  1  1  o 12 7.23872      0.652762    426.541   -64.6861     355.498   -64.6861     6.66292   -64.6861     
1 1 1 43  1  2  o 2  36.3097      1.38713     1892.87   -120.259     1423.15   -120.259     50.393    59.7408      
1 1 1 43  1  3  o 12 8.28878      0.674183    1004.68   116.215      54.9521   116.215      380.124   -63.7845     
1 1 1 43  1  4  o 9  24.7198      1.84132     985.657   -117.725     1521.9    -117.725     355.592   -117.725     
1 1 1 43  1  5  o 17 67.1822      2.98304     2164.35   -177.454     2571.92   -177.454     377.902   -177.454     
1 1 1 43  1  6  o 11 5.22127      0.525432    640.444   -58.7675     39.3259   121.233      295.117   121.233      
1 1 1 43  1  7  o 9  9.92653      0.73863     935.045   62.4429      499.18    62.4429      162.918   -117.557     
1 1 1 43  1  8  o 16 49.1921      2.23577     1453.65   -6.75746     2186.1    -6.75746     438.972   -6.75746     
1 1 1 43  1  9  o 9  13.682       0.958521    754.555   -31.3557     910.359   -31.3557     112.64    -31.3557     
1 1 1 43  1  10 o 7  24.5984      1.1396      875.275   -129.008     1587.43   -129.008     397.064   -129.008     
1 1 1 43  1  11 f 0  10.2076      0.839535    1086.71   -45.4372     139.503   134.563      560.075   134.563      
1 1 1 43  1  12 o 3  11.4103      0.832383    963.055   -144.787     70.8822   -144.787     400.657   35.2132      
1 1 1 43  1  13 o 11 37.803       1.74071     818.024   -141.197     2322.83   -141.197     786.866   -141.197     
1 1 1 43  1  14 o 3  2.6966       0.725231    146.215   161.927      0.0424475 -18.073      66.733    -18.073      
1 1 1 43  1  15 o 11 2.88645      0.616804    347.411   63.05        343.934   63.05        20.3936   63.05        
1 1 1 43  1  16 o 19 0.93298      0.54227     260.611   -162.239     191.357   17.761       201.793   17.761       
1 1 1 43  1  17 o 9  4.12324      0.642069    534.04    -35.2715     87.5599   144.728      252.998   144.728      
1 1 1 43  1  18 o 2  1.18603      0.538192    248.591   -48.9691     147.884   131.031      167.238   131.031      
1 1 1 43  3  0  o 2  37.7958      1.29148     1557.89   92.4429      1782.24   92.4429      263.169   92.4429      
1 1 1 43  3  1  o 12 17.3864      0.876007    1174.98   -135.402     1005.77   -135.402     27.103    -135.402     
1 1 1 43  3  2  o 2  24.8062      1.20938     1425.29   -59.2223     162.544   120.778      663.042   120.778      
1 1 1 43  3  3  o 18 38.2982      1.62999     1432.55   -28.5569     1731.4    -28.5569     273.603   -28.5569     
1 1 1 43  3  4  o 5  39.6844      2.20748     1490.24   -174.844     1431.41   -174.844     88.8582   -174.844     
1 1 1 43  3  5  f 0  52.9996      2.55295     1653.66   -37.7317     2213.33   -37.7317     395.825   -37.7317     
1 1 1 43  3  6  o 5  3.33917      0.580321    305.825   -165.715     113.807   14.2848      191.412   14.2848      
1 1 1 43  3  7  o 11 1.5081       0.426185    206.118   -14.8645     ?         ?            ?         ?            
1 1 1 43  3  8  o 8  94.1169      2.65396     2348.07   -158.954     3110.99   -158.954     490.924   -158.954     
1 1 1 43  3  9  o 5  16.6474      0.930057    889.421   -29.3643     122.17    150.636      464.731   150.636      
1 1 1 43  3  10 o 9  3.14131      0.600936    348.112   112.616      30.9936   -67.384      172.768   -67.384      
1 1 1 43  3  11 o 8  1.69903      0.491351    425.479   33.8609      ?         ?            ?         ?            
1 1 1 43  3  12 o 8  3.64423      0.839589    345.796   54.6761      240.695   54.6761      37.1456   -125.324     
1 1 1 43  3  13 o 4  8.69862      0.737747    845.379   57.1722      ?         ?            ?         ?            
1 1 1 43  3  14 o 8  13.3164      0.89662     625.663   -119.021     1206.11   -119.021     321.841   -119.021     
1 1 1 43  3  15 o 12 8.0191       0.899636    690.239   114.441      558.421   114.441      12.8804   -65.5586     
1 1 1 43  3  16 o 7  2.99142      0.583624    139.252   30.561       325.828   30.561       107.389   30.561       
1 1 1 43  3  17 o 8  0.972714     0.646861    631.214   -82.2329     ?         ?            ?         ?            
1 1 1 43  5  0  o 14 0.514456     0.393737    626.059   -70.6386     454.291   109.361      488.847   109.361      
1 1 1 43  5  1  o 11 3.93831      1.05014     606.049   37.6693      275.321   -142.331     393.247   -142.331     
1 1 1 43  5  2  o 17 26.6234      1.73118     1455.25   -105.876     1229.13   -105.876     6.68701   74.1243      
1 1 1 43  5  3  o 18 7.64339      0.594861    420.808   -174.209     172.349   -174.209     96.1954   5.79086      
1 1 1 43  5  4  o 19 3.52429      0.658828    761.31    62.3695      ?         ?            ?         ?            
1 1 1 43  5  5  o 15 46.736       1.89344     2187.41   111.608      1621.44   111.608      167.803   -68.3917     
1 1 1 43  5  6  o 7  12.873       0.971626    745.392   -79.663      772.553   -79.663      49.1734   -79.663      
1 1 1 43  5  7  o 2  5.90129      0.62972     582.211   -57.6044     31.3379   122.396      280.065   122.396      
1 1 1 43  5  8  o 15 8.91339      0.733905    1431.46   -19.1188     13.312    160.881      655.278   160.881      
1 1 1 43  5  9  o 12 10.1002      0.788341    242.023   -32.7141     284.784   -32.7141     33.1585   -32.7141     
1 1 1 43  5  10 o 4  17.4777      1.23976     932.552   -129         1154.61   -129         155.876   -129         
1 1 1 43  5  11 o 11 0.798281     0.497954    520.082   134.736      312.689   -45.2644     393.499   -45.2644     
1 1 1 43  5  12 o 8  21.231       1.13531     1527.28   112.673      945.028   112.673      228.221   -67.3272     
1 1 1 43  5  13 o 2  12.3418      0.900187    382.484   25.8568      1328.11   25.8568      491.911   25.8568      
1 1 1 43  5  14 o 15 25.8299      1.26019     739.463   -107.631     2062.96   -107.631     716.604   -107.631     
1 1 1 43  5  15 o 16 4.36425      0.647766    438.578   155.927      410.082   155.927      29.1187   155.927      
1 1 1 43  5  16 o 4  1.71234      0.578496    173.216   128.973      22.2502   128.973      56.3406   -51.0271     
1 1 1 43  5  17 o 5  2.51803      0.769254    299.161   -141.45      421.751   -141.45      98.6946   -141.45      
1 1 1 43  7  0  o 18 7.65407      0.752671    250.931   -67.6674     198.456   -67.6674     12.7679   112.333      
1 1 1 43  7  1  o 1  6.13168      0.757746    721.034   -92.5945     80.4987   87.4055      363.733   87.4055      
1 1 1 43  7  2  o 17 22.2905      1.76546     1496.89   122.046      994.717   122.046      177.907   -57.9539     
1 1 1 43  7  3  o 2  9.99295      0.8489      750.292   -178.995     404.054   -178.995     137.957   1.00476      
1 1 1 43  7  4  o 1  10.145       0.948833    665.7     80.369       515.478   80.369       44.5582   -99.631      
1 1 1 43  7  5  o 9  5.55038      0.792169    697.483   -63.4065     252.437   -63.4065     190.233   116.593      
1 1 1 43  7  6  o 3  18.5068      1.06443     1229.06   -91.9067     690.09    -91.9067     210.871   88.0933      
1 1 1 43  7  7  o 17 5.68373      0.653566    774.664   85.8489      608.142   -94.1511     653.576   -94.1511     
1 1 1 43  7  8  o 2  4.80142      0.686179    915.847   -136.962     750.06    43.0377      788.966   43.0377      
1 1 1 43  7  9  o 4  1.8518       0.640627    517.806   -130.139     ?         ?            ?         ?            
1 1 1 43  7  10 o 7  1.71047      0.526755    354.61    -82.6052     ?         ?            ?         ?            
1 1 1 43  7  11 o 6  2.40289      0.576738    313.271   100.101      ?         ?            ?         ?            
1 1 1 43  7  12 o 11 5.93911      0.697192    505.646   124.906      711.361   124.906      133.776   124.906      
1 1 1 43  7  13 o 6  2.39717      0.604972    540.836   162.901      94.9475   162.901      176.362   -17.0994     
1 1 1 43  7  14 o 16 3.64414      0.624323    307.575   -30.1078     588.01    -30.1078     172.209   -30.1078     
1 1 1 43  7  15 o 19 0.934541     0.625683    73.8604   63.8368      16.195    63.8368      20.3876   -116.163     
1 1 1 43  7  16 o 11 0.676691     0.712096    272.357   176.03       64.2557   176.03       72.1775   -3.97028     
1 1 1 43  9  0  o 2  17.1805      0.992899    1594.57   -100.786     602.419   -100.786     420.44    79.214       
1 1 1 43  9  1  o 1  56.0812      1.95802     1165.27   74.5306      2923.35   74.5306      934.92    74.5306      
1 1 1 43  9  2  o 16 3.61834      0.584274    394.096   -41.4237     85.1391   -41.4237     135.353   138.576      
1 1 1 43  9  3  o 5  13.925       0.836584    360.204   -138.859     1070.07   -138.859     372.534   -138.859     
1 1 1 43  9  4  o 11 15.6795      0.942196    919.843   -11.1215     1118.49   -11.1215     143.945   -11.1215     
1 1 1 43  9  5  o 2  0.803131     0.444765    598.185   -165.396     399.401   14.6037      470.702   14.6037      
1 1 1 43  9  6  o 7  7.98131      0.739658    419.354   -144.481     803.38    -144.481     210.557   -144.481     
1 1 1 43  9  7  o 17 18.1277      1.37319     1061.43   99.2919      1263.97   99.2919      145.359   99.2919      
1 1 1 43  9  8  o 16 5.12022      0.628112    537.754   41.8302      404.388   41.8302      44.0478   -138.17      
1 1 1 43  9  9  o 7  4.78017      0.691283    338.065   -176.792     601.626   -176.792     148.754   -176.792     
1 1 1 43  9  10 o 13 5.5855       0.726748    885.707   -97.0017     393.847   -97.0017     185.982   82.9983      
1 1 1 43  9  11 o 7  7.55672      0.735118    1048.73   -25.6322     534.147   -25.6322     163.846   154.368      
1 1 1 43  9  12 o 1  0.494845     0.48077     59.1228   156.528      29.5749   -23.4716     38.2015   -23.4716     
1 1 1 43  9  13 o 10 1.49871      1.04774     263.801   -131.053     164.36    -131.053     20.0089   48.9468      
1 1 1 43  9  14 o 14 1.27041      0.709967    213.741   86.5824      53.5785   -93.4176     106.947   -93.4176     
1 1 1 43  11 0  f 0  7.50725      0.66313     1272.7    -93.2928     178.241   -93.2928     493.612   86.7072      
1 1 1 43  11 1  o 10 2.0139       0.477656    101.627   -91.7557     38.803    -91.7557     27.1962   88.2443      
1 1 1 43  11 2  o 16 15.0999      0.846842    878.578   -117.738     1224.12   -117.738     208.907   -117.738     
1 1 1 43  11 3  o 6  3.90759      0.625939    264.227   60.3388      335.344   60.3388      46.6047   60.3388      
1 1 1 43  11 4  o 12 7.13979      0.70469     713.698   35.2333      495.053   35.2333      77.4074   -144.767     
1 1 1 43  11 5  o 15 0.323068     0.437549    185.454   76.647       108.057   -103.353     137.239   -103.353     
1 1 1 43  11 6  f 0  -1.23463     0.342157    189.666   -48.4241     ?         ?            ?         ?            
1 1 1 43  11 7  o 12 2.3877       0.505812    181.073   46.3561      235.024   46.3561      41.0384   46.3561      
1 1 1 43  11 8  o 5  -0.142604    0.418062    97.0595   -176.604     73.2483   3.39637      76.1269   3.39637      
1 1 1 43  11 9  o 8  3.79245      0.648153    504.076   128.42       547.334   128.42       73.962    128.42       
1 1 1 43  11 10 o 3  1.31904      0.539194    162.395   -12.4446     143.232   -12.4446     8.34873   -12.4446     
1 1 1 43  11 11 o 8  0.339749     0.520487    292.511   27.6445      68.8608   -152.355     144.956   -152.355     
1 1 1 43  13 0  o 5  0.522962     0.409585    215.641   -73.7376     59.5004   106.262      118.998   106.262      
1 1 1 43  13 1  o 11 2.71801      0.559532    654.521   -10.3805     222.149   -10.3805     157.025   169.619      
1 1 1 43  13 2  o 11 1.10967      0.523678    474.782   153.078      91.1776   -26.9218     237.651   -26.9218     
1 1 1 43  13 3  o 19 1.36092      0.506718    205.523   88.0876      39.9588   88.0876      62.107    -91.9124     
1 1 1 43  13 4  o 8  0.213628     0.573201    139.821   26.8237      76.6168   -153.176     93.5434   -153.176     
1 1 1 43  13 5  o 4  1.0081       0.617099    242.372   -22.5678     39.8146   -22.5678     74.9545   157.432      
1 1 1 43  13 6  o 12 1.23462      0.544175    229.281   2.30301      181.965   2.30301      2.41945   2.30301      
1 1 1 43  13 7  o 10 0.222367     0.478564    266.762   -82.8855     52.2424   97.1145      126.76    97.1145      
1 1 1 44  0  0  o 16 1.96152      0.547017    1149.84   2.0058e-13   487.878   -180         705.275   -180         
1 1 1 44  0  1  o 8  4.18381      0.673449    1238.51   180          465.189   8.01428e-15  730.851   2.55055e-15  
1 1 1 44  0  2  o 6  17.2101      1.33677     1067.88   180          935.356   180          35.6071   180          
1 1 1 44  0  3  o 19 94.9789      5.47986     2471.88   0            3056.71   0            517.937   0            
1 1 1 44  0  4  o 14 1.20467      1.05892     227.386   180          ?         ?            ?         ?            
1 1 1 44  0  5  o 9  3.52705      0.722018    1238.06   180          534.237   6.78171e-15  792.409   2.28609e-15  
1 1 1 44  0  6  o 17 99.868       4.23809     2489.16   180          3399.87   180          617.553   180          
1 1 1 44  0  7  o 2  11.3037      1.20374     1455.69   180          508.929   180          393.271   1.6097e-14   
1 1 1 44  0  8  o 16 12.7584      1.37794     66.2386   0            ?         ?            ?         ?            
1 1 1 44  0  9  o 5  50.1021      2.37247     1503.53   180          2561.39   180          597.904   180          
1 1 1 44  0  10 o 3  7.53415      0.946083    528.691   180          562.66    180          42.1205   180          
1 1 1 44  0  11 o 8  82.9434      3.76767     1656.52   180          3434.68   180          970.001   180          
1 1 1 44  0  12 o 15 6.92208      1.03269     638.73    180          536.843   180          21.621    1.8124e-13   
1 1 1 44  0  13 o 15 3.31806      1.10865     276.096   0            221.21    0            16.0377   180          
1 1 1 44  0  14 o 7  18.0847      1.66747     1087.71   180          1310.02   180          162.035   180          
1 1 1 44  0  15 o 6  17.5214      1.60537     905.719   180          1347.13   180          284.681   180          
1 1 1 44  0  16 o 19 1.90827      0.754142    37.878    0            ?         ?            ?         ?            
1 1 1 44  0  17 o 2  1.21573      0.777157    219.027   0            133.212   180          151.906   180          
1 1 1 44  0  18 o 10 2.77119      0.842753    644.754   180          204.524   180          140.11    1.72593e-14  
1 1 1 44  2  0  o 2  31.5415      1.49607     1614.25   80.2426      1463.49   80.2426      81.5675   80.2426      
1 1 1 44  2  1  o 2  73.4786      2.54312     2211.94   -173.845     2839.54   -173.845     524.897   -173.845     
1 1 1 44  2  2  o 19 14.9676      0.912428    1165.79   90.7662      541.399   90.7662      204.658   -89.2338     
1 1 1 44  2  3  f 0  0.196681     0.473157    443.298   138.697      343.497   -41.3028     354.769   -41.3028     
1 1 1 44  2  4  o 19 56.3652      2.03862     1460.02   23.645       2720.39   23.645       746.71    23.645       
1 1 1 44  2  5  o 1  20.7813      1.39844     896.242   -66.7936     1342.77   -66.7936     286.471   -66.7936     
1 1 1 44  2  6  o 12 16.5231      1.12153     1370.13   -18.3564     450.191   -18.3564     377.146   161.644      
1 1 1 44  2  7  o 1  75.1029      3.15876     2124.91   -151.648     2725.65   -151.648     410.261   -151.648     
1 1 1 44  2  8  o 15 53.7604      2.02315     2069.64   128.855      2051.3    128.855      87.3846   128.855      
1 1 1 44  2  9  o 14 12.3647      0.778022    464.573   -123.039     430.468   -123.039     4.39284   -123.039     
1 1 1 44  2  10 o 17 52.7884      1.94716     1782.54   144.515      2080.4    144.515      234.879   144.515      
1 1 1 44  2  11 o 6  7.63637      0.705942    926.383   154.069      170.506   -25.9314     503.506   -25.9314     
1 1 1 44  2  12 o 8  14.2779      1.06581     579.504   85.247       955.574   85.247       213.832   85.247       
1 1 1 44  2  13 o 14 3.69053      0.650182    366.538   -25.753      312.472   -25.753      11.9454   154.247      
1 1 1 44  2  14 o 10 10.7369      1.01462     485.084   -121.902     1094.25   -121.902     329.212   -121.902     
1 1 1 44  2  15 o 16 4.34487      0.70067     484.132   -88.1436     565.686   -88.1436     78.1854   -88.1436     
1 1 1 44  2  16 o 14 0.415535     0.53327     126.479   -64.6849     33.3362   115.315      67.0667   115.315      
1 1 1 44  2  17 o 14 2.04714      0.528098    261.498   121.544      ?         ?            ?         ?            
1 1 1 44  4  0  o 10 60.0193      2.63649     2321.91   113.371      2013.33   113.371      48.4907   113.371      
1 1 1 44  4  1  o 7  19.4734      1.00475     935.015   141.64       793.533   141.64       7.69063   141.64       
1 1 1 44  4  2  o 19 9.86905      0.952025    835.455   169.989      ?         ?            ?         ?            
1 1 1 44  4  3  o 3  3.29965      0.574742    707.645   -80.4482     ?         ?            ?         ?            
1 1 1 44  4  4  o 4  24.7428      1.21014     1689.35   -106.664     980.556   -106.664     245.479   73.3358      
1 1 1 44  4  5  o 13 3.26627      0.657751    369.179   -35.3352     ?         ?            ?         ?            
1 1 1 44  4  6  o 10 45.0566      1.64312     1387.31   -1.92823     2202.09   -1.92823     476.605   -1.92823     
1 1 1 44  4  7  o 18 7.24871      0.626758    666.873   66.0036      156.246   -113.996     380.687   -113.996     
1 1 1 44  4  8  o 3  3.781        0.596065    856.306   -64.5338     670.874   115.466      723.996   115.466      
1 1 1 44  4  9  o 8  5.25433      0.692991    1051.53   -30.2543     155.36    149.746      552.813   149.746      
1 1 1 44  4  10 f 0  6.74601      0.739636    699.587   -90.8044     389.668   -90.8044     120.903   89.1956      
1 1 1 44  4  11 o 9  22.7368      1.52828     979.75    -167.984     1569.42   -167.984     339.317   -167.984     
1 1 1 44  4  12 o 7  3.18802      0.546849    621.452   -37.9391     216.695   -37.9391     176.739   142.061      
1 1 1 44  4  13 o 9  16.1215      1.08666     595.89    -29.4974     1370.2    -29.4974     414.725   -29.4974     
1 1 1 44  4  14 f 0  10.5165      0.815463    720.134   35.5461      978.808   35.5461      178.244   35.5461      
1 1 1 44  4  15 o 6  7.085        0.8177      655.54    -76.2622     759.407   -76.2622     114.1     -76.2622     
1 1 1 44  4  16 f 0  1.51599      0.531605    185.406   -27.3991     202.816   -27.3991     28.8302   -27.3991     
1 1 1 44  4  17 o 17 1.6732       0.680331    518.947   108.926      17.9039   -71.0735     203.82    -71.0735     
1 1 1 44  6  0  o 4  1.6519       0.557029    276.499   -7.95252     147.393   172.047      194.672   172.047      
1 1 1 44  6  1  o 3  1.03195      0.510432    364.731   -59.8339     ?         ?            ?         ?            
1 1 1 44  6  2  o 14 2.6897       0.513271    454.964   -94.5496     311.625   85.4504      358.265   85.4504      
1 1 1 44  6  3  o 13 24.0693      2.04028     1405.9    -154.827     986.661   -154.827     138.04    25.1726      
1 1 1 44  6  4  o 8  3.70698      0.566534    698.052   141.609      136.405   -38.3912     383.985   -38.3912     
1 1 1 44  6  5  o 19 18.4556      1.08031     1426.94   -111.014     886.494   -111.014     204.625   68.9865      
1 1 1 44  6  6  o 4  20.3544      1.02008     680.396   62.3677      1252.48   62.3677      317.534   62.3677      
1 1 1 44  6  7  o 17 34.6009      1.50345     1365.37   -120.176     1755.83   -120.176     260.592   -120.176     
1 1 1 44  6  8  o 5  22.976       1.10492     983.65    89.2571      1582.14   89.2571      347.318   89.2571      
1 1 1 44  6  9  f 0  2.78173      0.75894     305.198   -63.918      ?         ?            ?         ?            
1 1 1 44  6  10 o 5  6.93426      0.681323    1029.34   28.7045      869.656   -151.295     905.101   -151.295     
1 1 1 44  6  11 o 15 3.30743      0.614304    278.784   80.4169      ?         ?            ?         ?            
1 1 1 44  6  12 o 5  1.57765      0.562532    429.941   -61.8573     319.899   118.143      353.172   118.143      
1 1 1 44  6  13 o 13 3.63077      0.62616     546.989   143.664      211.626   143.664      127.465   -36.3357     
1 1 1 44  6  14 o 11 1.70597      0.540727    324.166   24.4241      107.23    24.4241      76.8708   -155.576     
1 1 1 44  6  15 o 9  2.10873      0.541927    383.698   -98.9159     105.958   -98.9159     96.9683   81.0841      
1 1 1 44  6  16 f 0  1.38125      0.854032    112.689   68.0495      110.333   68.0495      12.8684   68.0495      
1 1 1 44  8  0  o 1  1.78083      0.455124    793.559   149.72       373.911   -30.2795     547.338   -30.2795     
1 1 1 44  8  1  o 11 31.6108      1.75893     1788.37   -24.0258     1366.03   -24.0258     128.924   155.974      
1 1 1 44  8  2  o 1  7.43008      0.642384    331.815   -107.619     361.496   -107.619     30.2619   -107.619     
1 1 1 44  8  3  o 3  71.0715      2.66149     1927.05   131.88       2833.63   131.88       544.558   131.88       
1 1 1 44  8  4  o 17 9.64377      0.746834    445.037   -124.319     754.928   -124.319     176.475   -124.319     
1 1 1 44  8  5  o 10 15.5105      0.943669    477.622   10.163       1169.47   10.163       369.268   10.163       
1 1 1 44  8  6  o 6  3.16618      0.553538    222.864   -3.99711     4.42684   -3.99711     98.5263   176.003      
1 1 1 44  8  7  o 16 1.92057      0.566931    350.774   -73.3578     289.19    106.642      304.105   106.642      
1 1 1 44  8  8  o 16 3.92875      0.808104    220.364   21.5075      278.428   21.5075      38.2712   21.5075      
1 1 1 44  8  9  o 14 4.30783      0.619326    732.207   7.47603      112.656   7.47603      279.128   -172.524     
1 1 1 44  8  10 o 12 4.21797      0.653201    509.249   49.9406      455.364   49.9406      1.1755    -130.059     
1 1 1 44  8  11 o 13 1.11628      0.523755    255.361   37.2604      13.2789   -142.74      116.425   -142.74      
1 1 1 44  8  12 o 1  5.23136      0.695409    195.593   -2.04539     682.549   -2.04539     261.584   -2.04539     
1 1 1 44  8  13 o 12 1.72579      0.572765    201.487   110.145      216.211   110.145      28.7381   110.145      
1 1 1 44  8  14 o 6  0.612001     0.706929    197.302   1.31086      1.76701   1.31086      74.7332   -178.689     
1 1 1 44  10 0  o 19 7.05525      0.720854    803.77    -165.582     462.722   -165.582     132.379   14.4179      
1 1 1 44  10 1  o 6  16.7446      0.935809    821.301   -25.9584     1304.86   -25.9584     280.054   -25.9584     
1 1 1 44  10 2  o 7  3.3108       0.497703    429.869   5.43627      233.868   5.43627      78.5459   -174.564     
1 1 1 44  10 3  o 12 6.0347       0.678561    482.725   -120.552     621.373   -120.552     90.3073   -120.552     
1 1 1 44  10 4  o 9  1.3727       0.512823    393.953   -127.993     100.756   52.007       230.92    52.007       
1 1 1 44  10 5  o 7  1.2961       0.487848    636.365   -29.649      ?         ?            ?         ?            
1 1 1 44  10 6  o 9  9.75353      0.952458    233.448   131.488      1056.79   131.488      421.971   131.488      
1 1 1 44  10 7  o 5  5.57218      0.667751    486.129   -114.258     684.066   -114.258     124.63    -114.258     
1 1 1 44  10 8  o 14 2.35217      0.57148     498.925   178.934      135.123   178.934      147.983   -1.06606     
1 1 1 44  10 9  f 0  1.21156      0.553961    338.588   51.764       ?         ?            ?         ?            
1 1 1 44  10 10 o 9  1.36801      0.507963    362.731   103.337      26.7468   103.337      131.317   -76.6626     
1 1 1 44  10 11 o 18 0.944064     0.538347    124.274   124.498      81.5218   -55.5017     89.3481   -55.5017     
1 1 1 44  10 12 o 9  0.394851     0.785788    342.038   -28.204      18.8708   -28.204      120.302   151.796      
1 1 1 44  12 0  o 15 1.42507      0.477342    311.325   -89.6358     39.1166   -89.6358     119.299   90.3642      
1 1 1 44  12 1  o 19 2.73541      0.558978    369.221   -110.541     273.016   -110.541     26.6543   69.4587      
1 1 1 44  12 2  o 15 0.826347     0.61466     201.607   -45.1707     70.266    134.829      122.983   134.829      
1 1 1 44  12 3  o 10 2.10155      0.618792    543.774   38.739       89.6626   38.739       187.581   -141.261     
1 1 1 44  12 4  o 11 2.21446      0.604513    355.33    -169.569     275.787   -169.569     10.4021   10.4308      
1 1 1 44  12 5  o 3  0.934518     0.594266    240.164   -55.542      73.0954   124.458      134.29    124.458      
1 1 1 44  12 6  o 9  0.0548096    0.469046    131.741   -27.4233     72.1646   152.577      88.5704   152.577      
1 1 1 44  12 7  o 15 0.956138     0.53618     298.136   26.527       7.71192   -153.473     120.946   -153.473     
1 1 1 44  12 8  f 0  0.442907     0.516184    116.258   -31.5463     9.37889   -31.5463     40.2745   148.454      
1 1 1 44  12 9  o 19 4.37082      0.66316     582.691   -68.6378     571.914   -68.6378     66.8819   -68.6378     
1 1 1 44  14 0  o 9  4.09989      0.668211    476.944   -29.5527     578.113   -29.5527     104.102   -29.5527     
1 1 1 44  14 1  o 14 1.01279      0.457109    190.582   61.9312      123.084   61.9312      11.9117   -118.069     
1 1 1 44  14 2  o 14 0.208605     0.425463    180.859   -92.8836     31.2144   87.1164      84.6056   87.1164      
1 1 1 44  14 3  o 2  0.779416     0.532009    139.555   3.73284      55.8306   3.73284      24.6177   -176.267     
1 1 1 44  14 4  o 2  0.506395     0.50518     299.238   154.166      7.02878   154.166      109.007   -25.8338     
1 1 1 45  1  0  o 6  42.033       1.58979     1530.1    168.441      1973.22   168.441      369.041   168.441      
1 1 1 45  1  1  o 12 66.9038      2.49588     2393.61   36.9344      2416.51   36.9344      237.162   36.9344      
1 1 1 45  1  2  f 0  10.4749      1.13243     974.796   -47.3877     552.354   -47.3877     122.777   132.612      
1 1 1 45  1  3  o 2  54.6197      3.22788     1830.53   98.8954      2359.4    98.8954      420.447   98.8954      
1 1 1 45  1  4  o 19 43.387       2.08747     1188.76   11.184       2165.15   11.184       580.427   11.184       
1 1 1 45  1  5  o 15 42.1816      1.54628     1205.29   15.2868      2226.89   15.2868      593.014   15.2868      
1 1 1 45  1  6  o 7  14.4357      0.734139    411.154   93.3445      355.486   93.3445      3.81273   -86.6555     
1 1 1 45  1  7  o 16 32.7658      1.40311     781.725   -39.1986     1837.31   -39.1986     567.18    -39.1986     
1 1 1 45  1  8  o 6  13.5602      0.856284    852.239   108.661      587.044   108.661      93.1892   -71.3386     
1 1 1 45  1  9  o 12 0.847765     0.442175    347.884   108.292      ?         ?            ?         ?            
1 1 1 45  1  10 o 2  77.5243      2.67196     2311.29   35.711       2563.45   35.711       238.175   35.711       
1 1 1 45  1  11 o 3  9.3395       0.823322    746.409   166.327      684.453   166.327      4.97446   166.327      
1 1 1 45  1  12 o 12 24.5135      1.51884     838.119   59.356       1259.63   59.356       247.417   59.356       
1 1 1 45  1  13 o 8  3.27755      0.766542    390.482   89.0758      ?         ?            ?         ?            
1 1 1 45  1  14 o 12 12.4299      0.980687    701.654   -6.35506     1188.22   -6.35506     280.853   -6.35506     
1 1 1 45  1  15 o 1  1.18717      0.569147    140.604   -39.0518     ?         ?            ?         ?            
1 1 1 45  1  16 o 1  2.40458      0.570527    483.29    63.3509      258.563   -116.649     320.983   -116.649     
1 1 1 45  1  17 o 4  0.239532     0.501439    266.714   123.775      ?         ?            ?         ?            
1 1 1 45  3  0  o 3  83.6411      2.9201      1758.66   -70.8807     3181.22   -70.8807     869.441   -70.8807     
1 1 1 45  3  1  o 9  19.0406      1.13        720.313   46.1603      1223.87   46.1603      314.217   46.1603      
1 1 1 45  3  2  o 11 19.2398      1.73086     1018.81   93.5544      568.84    -86.4456     710.451   -86.4456     
1 1 1 45  3  3  o 17 8.72223      0.769882    566.266   -174.755     289.192   -174.755     95.914    5.24478      
1 1 1 45  3  4  o 9  8.2665       0.766087    309.713   114.86       ?         ?            ?         ?            
1 1 1 45  3  5  o 15 83.8435      3.11092     2210.68   95.9344      2976.91   95.9344      512.97    95.9344      
1 1 1 45  3  6  o 3  38.5227      1.33491     1272.71   166.102      1945.11   166.102      401.489   166.102      
1 1 1 45  3  7  o 2  117.291      3.29613     2051.94   -6.69953     3991.87   -6.69953     1065.92   -6.69953     
1 1 1 45  3  8  o 3  8.3934       0.777589    377.121   -90.2245     509.856   -90.2245     83.7217   -90.2245     
1 1 1 45  3  9  o 11 7.20468      0.71852     703.128   -17.1943     18.2149   162.806      327.042   162.806      
1 1 1 45  3  10 o 12 23.1392      1.0655      767.068   -7.95986     1410.96   -7.95986     359.398   -7.95986     
1 1 1 45  3  11 f 0  3.01879      0.758175    521.257   49.6468      ?         ?            ?         ?            
1 1 1 45  3  12 o 10 8.03298      0.781935    968.446   -129.713     29.5962   -129.713     429.221   50.2873      
1 1 1 45  3  13 f 0  8.2105       0.738872    678.236   -152.18      606.795   -152.18      5.24464   27.8203      
1 1 1 45  3  14 o 2  2.36684      0.670272    376.214   -7.35798     260.392   -7.35798     33.3891   172.642      
1 1 1 45  3  15 o 17 1.50769      0.55883     135.93    21.6812      86.8617   21.6812      11.9175   -158.319     
1 1 1 45  3  16 o 10 4.013        0.67842     325.257   1.72541      62.452    -178.275     158.799   -178.275     
1 1 1 45  3  17 o 5  1.39296      0.570618    325.97    -83.2922     ?         ?            ?         ?            
1 1 1 45  5  0  o 15 66.6507      2.80636     1907.65   -142.469     2476.8    -142.469     419.113   -142.469     
1 1 1 45  5  1  o 15 42.1544      2.13794     1547.17   -172.354     1937.49   -172.354     298.228   -172.354     
1 1 1 45  5  2  o 3  14.6142      1.01536     659.953   2.87695      697.133   2.87695      59.2778   2.87695      
1 1 1 45  5  3  o 2  10.8297      0.801395    1716.36   93.0088      46.2942   -86.9912     784.952   -86.9912     
1 1 1 45  5  4  o 13 23.3445      1.40314     1033.82   -144.49      1308.32   -144.49      189.959   -144.49      
1 1 1 45  5  5  o 8  3.69618      0.520684    833.029   -95.9646     445.206   84.0354      599.749   84.0354      
1 1 1 45  5  6  o 19 11.4085      0.863843    894.687   -31.7387     594.198   -31.7387     109.206   148.261      
1 1 1 45  5  7  o 13 8.35985      0.701712    911.235   122.731      102.071   122.731      361.95    -57.2693     
1 1 1 45  5  8  o 3  6.47359      0.614402    905.555   -97.9758     307.552   -97.9758     255.075   82.0242      
1 1 1 45  5  9  o 19 18.9047      1.20591     718.888   75.5111      1515.69   75.5111      433.26    75.5111      
1 1 1 45  5  10 o 11 3.38591      0.789756    311.693   -127.401     48.3308   52.5994      165.928   52.5994      
1 1 1 45  5  11 o 18 8.0621       0.783514    561.196   -39.4699     568.898   -39.4699     27.0287   -39.4699     
1 1 1 45  5  12 o 11 11.0288      0.903589    891.578   -96.8572     868.822   -96.8572     28.9279   -96.8572     
1 1 1 45  5  13 o 7  8.37335      0.756745    135.881   -57.244      837.967   -57.244      359.756   -57.244      
1 1 1 45  5  14 o 2  2.40706      0.593084    302.471   126.362      331.759   126.362      42.0334   126.362      
1 1 1 45  5  15 o 7  4.77747      0.80412     485.685   38.8039      652.145   38.8039      134.916   38.8039      
1 1 1 45  5  16 o 7  -0.234411    0.694269    306.872   -44.7778     ?         ?            ?         ?            
1 1 1 45  7  0  o 5  11.0832      0.825031    944.39    -2.17253     564.889   -2.17253     144.465   177.827      
1 1 1 45  7  1  o 8  27.5754      1.12351     966.215   131.332      1712.28   131.332      418.314   131.332      
1 1 1 45  7  2  o 11 5.38496      0.696457    1014.01   -23.3806     44.3698   -23.3806     438.126   156.619      
1 1 1 45  7  3  o 18 40.7012      1.64709     1530.21   -30.2166     2007.38   -30.2166     308.839   -30.2166     
1 1 1 45  7  4  o 5  54.826       1.90525     2143.38   155.652      2072.45   155.652      64.4876   155.652      
1 1 1 45  7  5  o 14 4.82577      0.622547    148.694   95.059       18.8221   95.059       57.8109   -84.941      
1 1 1 45  7  6  o 17 8.90706      0.777282    960.884   -106.225     35.1004   -106.225     415.957   73.7748      
1 1 1 45  7  7  o 10 9.38576      0.806086    272.013   -56.4458     678.513   -56.4459     216.344   -56.4459     
1 1 1 45  7  8  o 3  6.6399       0.800164    964.914   -147.361     371.281   -147.361     253.245   32.6391      
1 1 1 45  7  9  o 6  0.577446     0.473676    175.627   7.53174      ?         ?            ?         ?            
1 1 1 45  7  10 o 10 5.98239      0.706264    310.074   150.297      596.24    150.297      156.35    150.297      
1 1 1 45  7  11 o 18 2.32221      0.59228     315.346   -29.9452     243.614   -29.9452     18.513    150.055      
1 1 1 45  7  12 o 17 2.09638      0.610944    597.961   -31.7464     ?         ?            ?         ?            
1 1 1 45  7  13 o 15 0.711127     0.50746     570.066   -26.5933     ?         ?            ?         ?            
1 1 1 45  7  14 o 1  2.85908      0.594785    429.435   171.726      400.295   171.726      32.4752   171.726      
1 1 1 45  7  15 o 3  0.754485     0.68627     184.995   17.6313      ?         ?            ?         ?            
1 1 1 45  9  0  o 3  14.0265      1.00154     916.083   66.1891      927.766   66.1891      50.4763   66.1891      
1 1 1 45  9  1  o 19 25.9803      1.30301     1783.87   -170.092     1101.75   -170.092     253.882   9.9084       
1 1 1 45  9  2  o 18 9.78172      0.800747    191.305   -63.2095     598.062   -63.2095     212.7     -63.2095     
1 1 1 45  9  3  o 9  13.5945      0.883297    791.177   -21.8928     1109.53   -21.8928     197.117   -21.8928     
1 1 1 45  9  4  o 18 23.0984      1.14558     1055.27   135.95       1555.2    135.95       298.791   135.95       
1 1 1 45  9  5  o 17 5.64352      0.685782    753.037   119.092      428.422   119.092      129.355   -60.9079     
1 1 1 45  9  6  o 7  22.8267      1.21825     668.417   -57.7436     1863.19   -57.7436     625.107   -57.7436     
1 1 1 45  9  7  o 13 1.97489      0.664077    375.839   -93.6008     ?         ?            ?         ?            
1 1 1 45  9  8  f 0  6.45392      0.742439    336.104   -170.518     735.119   -170.518     215.862   -170.518     
1 1 1 45  9  9  o 18 1.13954      0.526921    647.885   161.007      ?         ?            ?         ?            
1 1 1 45  9  10 o 3  1.17767      0.59534     342.49    10.3986      55.842    -169.601     170.35    -169.601     
1 1 1 45  9  11 o 2  1.12274      0.549607    385.874   -178.417     125.015   1.58293      216.555   1.58293      
1 1 1 45  9  12 o 18 1.09244      0.52002     264.896   66.9487      3.94627   66.9487      101.495   -113.051     
1 1 1 45  9  13 o 12 0.804024     0.922125    116.692   43.7417      50.3359   43.7417      18.8819   -136.258     
1 1 1 45  11 0  f 0  2.32443      0.584864    555.517   80.8283      67.4058   80.8283      221.154   -99.1717     
1 1 1 45  11 1  o 1  6.87302      0.74021     456.461   -44.7475     789.713   -44.7475     185.709   -44.7475     
1 1 1 45  11 2  o 13 15.8951      0.952425    908.253   99.7646      1253.95   99.7646      212.362   99.7646      
1 1 1 45  11 3  o 4  12.5365      0.928463    994.676   -133.205     975.005   -133.205     37.1538   -133.205     
1 1 1 45  11 4  o 8  0.512465     0.50342     385.814   -34.3414     207.666   145.659      275.877   145.659      
1 1 1 45  11 5  f 0  5.60968      0.773816    365.818   -13.3022     766.272   -13.3022     223.878   -13.3022     
1 1 1 45  11 6  o 13 1.96071      0.539138    475.204   -141.541     182.703   -141.541     109.041   38.4586      
1 1 1 45  11 7  o 2  0.811088     0.508586    382.982   -173.156     113.485   6.84367      212.883   6.84367      
1 1 1 45  11 8  o 19 2.23766      0.545683    384.354   -18.4981     335.042   -18.4981     14.8559   -18.4981     
1 1 1 45  11 9  o 19 2.03285      0.599227    183.15    -152.532     120.314   -152.532     11.4364   27.4682      
1 1 1 45  11 10 o 9  2.09006      0.670421    364.216   -104.143     303.344   -104.143     12.7994   -104.143     
1 1 1 45  11 11 f 0  2.35431      0.654073    508.345   -73.8113     286.822   -73.8113     50.3052   106.189      
1 1 1 45  13 0  f 0  2.88238      0.523314    526.098   125.715      343.373   125.715      39.9843   -54.2854     
1 1 1 45  13 1  o 12 0.367508     0.431947    199.352   -94.7545     61.4526   85.2455      110.348   85.2455      
1 1 1 45  13 2  o 15 1.48323      0.508052    356.041   20.2054      139.859   20.2054      71.1577   -159.795     
1 1 1 45  13 3  o 7  0.639765     0.485817    182.139   -128.65      53.1921   51.3503      98.2361   51.3503      
1 1 1 45  13 4  o 2  -0.202329    0.475051    57.2702   -155.179     ?         ?            ?         ?            
1 1 1 45  13 5  o 17 2.143        0.63254     141.453   -138.798     319.152   -138.798     105.097   -138.798     
1 1 1 45  13 6  o 11 1.74491      0.519323    304.97    133.176      339.498   133.176      54.8036   133.176      
1 1 1 45  13 7  o 5  1.17072      0.590878    285.805   -130.644     174.231   -130.644     21.9468   49.3561      
1 1 1 46  0  0  o 18 35.6474      1.92259     992.551   -8.02494e-14 2292.32   2.82239e-14  743.053   8.70708e-14  
1 1 1 46  0  1  o 10 34.8858      3.82249     1715.56   180          1524.57   180          60.8773   180          
1 1 1 46  0  2  o 14 62.24        4.33921     2175.48   180          2584.96   180          393.672   180          
1 1 1 46  0  3  o 9  5.25375      1.65441     255.348   180          40.9834   180          86.5882   1.03378e-14  
1 1 1 46  0  4  o 8  2.11755      0.595396    242.117   0            171.961   180          189.462   180          
1 1 1 46  0  5  o 14 36.8338      1.78764     186.356   180          1312.21   180          574.738   180          
1 1 1 46  0  6  o 16 20.5046      1.71313     1304.22   0            1294.59   0            66.3283   0            
1 1 1 46  0  7  o 11 30.349       2.07699     1257.27   180          1736.32   180          300.106   180          
1 1 1 46  0  8  o 2  51.3791      2.82529     825.912   0            3085.05   0            1167.45   0            
1 1 1 46  0  9  o 6  8.57503      1.0016      332.639   0            260.524   0            20.3792   180          
1 1 1 46  0  10 o 15 6.50289      1.60513     490.162   0            520.816   0            39.2659   0            
1 1 1 46  0  11 o 16 24.6204      1.8919      1391.57   0            1367.41   0            53.5768   0            
1 1 1 46  0  12 o 11 22.6716      2.24159     1151.92   0            1545.05   0            245.373   0            
1 1 1 46  0  13 o 6  0.0116799    0.817924    131.261   0            ?         ?            ?         ?            
1 1 1 46  0  14 o 14 2.13266      0.858341    216.913   0            144.714   0            23.1639   180          
1 1 1 46  0  15 o 14 4.80254      0.892098    479.941   0            288.541   0            53.472    180          
1 1 1 46  0  16 o 19 5.87098      1.03211     740.517   180          653.704   180          35.1235   180          
1 1 1 46  0  17 o 2  2.23838      0.840237    250.814   0            393.103   0            101.241   0            
1 1 1 46  2  0  o 6  14.0742      0.94565     936.61    29.5596      820.082   29.5596      26.3175   29.5596      
1 1 1 46  2  1  f 0  27.0851      3.02719     345.143   -132.929     1455.34   -132.929     585.138   -132.929     
1 1 1 46  2  2  o 11 33.8099      2.26563     1711.3    -97.6259     1451.87   -97.6259     10.8846   -97.6259     
1 1 1 46  2  3  o 12 21.8494      1.09915     931.3     -93.1307     1172.9    -93.1307     191.152   -93.1307     
1 1 1 46  2  4  o 5  15.9984      1.01519     726.445   75.3575      1062.57   75.3575      217.064   75.3575      
1 1 1 46  2  5  o 12 37.7653      1.64089     1406.53   166.719      1930.4    166.719      344.699   166.719      
1 1 1 46  2  6  o 4  27.4817      1.28408     1020.04   129.115      1594.95   129.115      339.81    129.115      
1 1 1 46  2  7  o 9  4.07551      0.723465    610.732   -38.8416     56.2177   141.158      304.921   141.158      
1 1 1 46  2  8  o 2  28.3679      1.41194     378.895   92.9649      1271.33   92.9649      463.654   92.9649      
1 1 1 46  2  9  o 15 14.35        0.95209     594.863   18.3397      736.064   18.3397      99.0651   18.3397      
1 1 1 46  2  10 o 12 46.8132      1.682       1149.64   -119.353     2567.45   -119.353     765.021   -119.353     
1 1 1 46  2  11 o 4  64.8872      2.52159     1425.35   -37.1347     3014.35   -37.1347     859.993   -37.1347     
1 1 1 46  2  12 o 14 6.43915      0.752157    622.457   -152.221     ?         ?            ?         ?            
1 1 1 46  2  13 o 6  20.5333      1.30123     708.111   118.607      1422.01   118.607      388.949   118.607      
1 1 1 46  2  14 o 4  6.14933      0.812976    628.948   173.925      592.136   173.925      23.0082   173.925      
1 1 1 46  2  15 o 19 0.197571     0.551301    134.45    53.1539      ?         ?            ?         ?            
1 1 1 46  2  16 o 4  3.41891      0.614262    436.991   -164.711     109.816   -164.711     116.377   15.2891      
1 1 1 46  2  17 o 9  2.93993      0.582948    300.857   52.7116      546.531   52.7116      160.093   52.7116      
1 1 1 46  4  0  f 0  3.41664      0.60357     502.057   68.8215      87.1562   -111.178     256.346   -111.178     
1 1 1 46  4  1  o 6  102.836      3.37485     2397.84   -7.11535     3311.85   -7.11535     630.003   -7.11535     
1 1 1 46  4  2  f 0  18.1692      0.963056    993.651   118.533      839.499   118.533      10.6965   -61.4667     
1 1 1 46  4  3  o 3  4.19177      0.725093    739.441   -57.492      366.559   122.508      508.214   122.508      
1 1 1 46  4  4  o 5  47.2018      1.8493      1383.81   25.1767      2157.4    25.1767      461.865   25.1767      
1 1 1 46  4  5  o 8  76.6921      2.95218     1476.81   148.594      3313.56   148.594      990.816   148.594      
1 1 1 46  4  6  o 7  16.149       0.976228    1059.95   170.813      853.747   170.813      54.1281   -9.18735     
1 1 1 46  4  7  o 18 5.30401      0.646315    197.103   128.38       34.6854   -51.6198     106.79    -51.6198     
1 1 1 46  4  8  f 0  7.70249      0.750037    889.582   -179.037     417.344   -179.037     193.475   0.962693     
1 1 1 46  4  9  o 7  28.5078      1.48173     1235.38   147.161      1687.58   147.161      286.434   147.161      
1 1 1 46  4  10 o 5  6.56861      0.884182    296.17    -3.09452     471.327   -3.09452     101.34    -3.09452     
1 1 1 46  4  11 o 17 8.04274      0.785492    522.236   -33.7547     469.835   -33.7547     4.26151   146.245      
1 1 1 46  4  12 o 1  8.19664      0.771903    492.357   145.742      899.109   145.742      224.534   145.742      
1 1 1 46  4  13 o 19 2.76169      0.598168    422.918   -165.8       190.895   -165.8       91.2383   14.2003      
1 1 1 46  4  14 o 5  16.868       1.24909     293.584   -145.729     1785.6    -145.729     771.069   -145.729     
1 1 1 46  4  15 o 8  8.27152      0.858143    176.973   -129.877     1009.62   -129.877     434.81    -129.877     
1 1 1 46  4  16 o 18 1.14124      0.583657    215.441   109.254      65.5864   109.254      49.92     -70.7458     
1 1 1 46  6  0  o 15 24.8236      1.09673     520.301   81.4948      1471.74   81.4948      503.401   81.4948      
1 1 1 46  6  1  o 11 41.5748      1.66723     1491.85   -4.62217     1984.72   -4.62217     322.299   -4.62217     
1 1 1 46  6  2  o 19 7.90568      0.633218    694.078   101.215      367.053   101.215      129.892   -78.7848     
1 1 1 46  6  3  o 19 5.15037      0.624639    71.4324   -18.8357     12.7117   -18.8357     26.0327   161.164      
1 1 1 46  6  4  f 0  37.5974      1.40448     1536.72   -26.1392     1732.96   -26.1392     168.601   -26.1392     
1 1 1 46  6  5  o 13 16.4153      0.941627    1139.77   122.205      811.118   122.205      111.325   -57.7953     
1 1 1 46  6  6  o 6  27.2892      1.15567     1179.64   106.888      1420.45   106.888      176.984   106.888      
1 1 1 46  6  7  o 8  4.26952      0.625251    597.982   11.6009      ?         ?            ?         ?            
1 1 1 46  6  8  o 9  11.0828      0.952584    841.134   67.796       876.887   67.796       57.9147   67.796       
1 1 1 46  6  9  o 3  9.69122      0.831078    727.867   -110.262     811.305   -110.262     73.671    -110.262     
1 1 1 46  6  10 o 8  15.8723      0.995101    610.3     -98.7367     1231.21   -98.7367     335.554   -98.7367     
1 1 1 46  6  11 o 15 3.08462      0.611547    410.43    -156.172     269.508   -156.172     51.3659   23.8276      
1 1 1 46  6  12 o 6  1.41432      0.557535    207.352   140.437      ?         ?            ?         ?            
1 1 1 46  6  13 o 6  0.739358     0.526213    11.0199   -46.0911     ?         ?            ?         ?            
1 1 1 46  6  14 o 12 2.70751      0.627556    261.985   4.30087      211.476   4.30087      2.44765   4.30087      
1 1 1 46  6  15 o 3  3.94456      0.931351    306.61    -151.873     590.919   -151.873     178.1     -151.873     
1 1 1 46  8  0  o 6  5.31914      0.63049     247.794   -83.1742     173.62    -83.1742     25.4866   96.8258      
1 1 1 46  8  1  o 12 15.95        1.07473     768.32    138.303      1215.12   138.303      259.8     138.303      
1 1 1 46  8  2  o 16 1.36565      0.425424    593.168   149.853      350.244   -30.1469     443.174   -30.1469     
1 1 1 46  8  3  o 8  4.18267      0.63652     489.064   -74.594      5.69611   105.406      223.546   105.406      
1 1 1 46  8  4  o 8  16.1249      1.00824     1108.77   10.8889      1047.86   10.8889      23.6374   10.8889      
1 1 1 46  8  5  o 4  23.3841      1.08548     641.775   138.297      1825.35   138.297      622.367   138.297      
1 1 1 46  8  6  o 8  4.64448      0.723463    342.488   -25.3235     ?         ?            ?         ?            
1 1 1 46  8  7  o 9  3.89259      0.758936    474.156   -15.5337     331.931   -15.5337     51.1862   164.466      
1 1 1 46  8  8  o 8  0.826175     0.518439    763.54    -22.9855     524.11    157.015      612.12    157.015      
1 1 1 46  8  9  o 13 2.06924      0.597105    347.24    155.837      56.35     155.837      128.697   -24.1631     
1 1 1 46  8  10 o 18 19.9949      1.28122     1283.71   -155.585     1236.35   -155.585     59.5981   -155.585     
1 1 1 46  8  11 o 5  1.85388      0.601325    88.5687   -137.402     6.48288   42.5983      39.8358   42.5983      
1 1 1 46  8  12 o 15 1.08308      0.55618     139.953   71.4742      ?         ?            ?         ?            
1 1 1 46  8  13 o 2  5.96706      0.764382    286.387   -72.9647     942.356   -72.9647     359.991   -72.9647     
1 1 1 46  8  14 o 11 1.08005      0.655923    122.279   173.384      114.915   173.384      11.6398   173.384      
1 1 1 46  10 0  o 13 3.70933      0.55843     389.781   -4.17492     251.288   -4.17492     51.891    175.825      
1 1 1 46  10 1  o 4  2.83415      0.527193    496.31    146.826      137.166   146.826      158.013   -33.1737     
1 1 1 46  10 2  o 13 2.06576      0.530426    574.526   -88.292      18.7081   91.708       272.392   91.708       
1 1 1 46  10 3  o 5  2.80161      0.576734    717.702   144.614      89.9862   -35.3863     374.267   -35.3863     
1 1 1 46  10 4  o 13 0.366096     0.471149    207.727   27.6945      ?         ?            ?         ?            
1 1 1 46  10 5  o 9  1.45994      0.523899    530.605   -137.187     316.757   42.8127      399.749   42.8127      
1 1 1 46  10 6  o 12 3.15435      0.730548    51.4498   144.257      87.2872   144.257      20.6689   144.257      
1 1 1 46  10 7  o 1  1.41882      0.547295    436.509   54.2584      51.2662   54.2584      163.23    -125.742     
1 1 1 46  10 8  o 17 1.51394      0.566603    388.096   24.3394      84.5147   24.3394      119.042   -155.661     
1 1 1 46  10 9  o 5  8.15052      0.804046    799.85    -59.2319     859.568   -59.2319     109.102   -59.2319     
1 1 1 46  10 10 o 13 2.51152      0.585473    457.223   105.126      325.142   105.126      16.9076   -74.8737     
1 1 1 46  10 11 o 19 2.73592      0.717224    388.885   142.184      437.616   142.184      69.6541   142.184      
1 1 1 46  10 12 o 15 -0.418853    0.642924    215.145   -108.371     153.176   71.6295      157.954   71.6295      
1 1 1 46  12 0  o 3  2.06166      0.479831    561.564   -88.0711     119.824   -88.0711     182.916   91.9289      
1 1 1 46  12 1  o 16 6.01762      0.701902    698.483   59.7519      597.378   59.7519      0.261566  59.7519      
1 1 1 46  12 2  o 15 1.66577      0.499362    443.368   -164.367     113.081   -164.367     129.837   15.633       
1 1 1 46  12 3  o 6  2.00424      0.580018    152.91    -132.278     163.668   -132.278     18.7932   -132.278     
1 1 1 46  12 4  o 19 2.43158      0.766926    110.194   30.7272      196.098   30.7272      53.521    30.7272      
1 1 1 46  12 5  o 11 0.872172     0.510853    237.564   174.92       30.5853   174.92       79.0895   -5.07991     
1 1 1 46  12 6  o 4  0.604716     0.537806    197.418   166.448      13.8026   166.448      70.5816   -13.5523     
1 1 1 46  12 7  o 7  0.323809     0.592034    314.191   178.656      ?         ?            ?         ?            
1 1 1 46  12 8  o 6  0.440992     0.570885    125.467   169.287      3.67915   -10.7129     49.1505   -10.7129     
1 1 1 46  14 0  o 13 0.413361     0.502656    243.602   165.438      1.83368   -14.5624     93.3248   -14.5624     
1 1 1 46  14 1  o 19 1.77831      0.478745    235.969   174.594      361.457   174.594      91.92     174.594      
1 1 1 46  14 2  o 9  0.769563     0.459972    165.968   85.8484      86.147    85.8484      19.1246   -94.1516     
1 1 1 47  1  0  o 3  42.1117      2.1034      1425.62   -140.573     2005.14   -140.573     415.999   -140.573     
1 1 1 47  1  1  o 19 46.0126      3.06799     1278.55   -56.4577     2109.78   -56.4577     524.313   -56.4577     
1 1 1 47  1  2  o 4  7.2557       1.05665     523.641   -136.85      253.852   -136.85      93.0695   43.1496      
1 1 1 47  1  3  f 0  40.7731      1.5478      1458.46   -107.257     2052.04   -107.257     403.374   -107.257     
1 1 1 47  1  4  o 9  30.408       1.44845     1488.27   -146.911     1504.19   -146.911     104.74    -146.911     
1 1 1 47  1  5  o 16 111.274      3.52573     2076.4    -25.409      3853.64   -25.409      1006.5    -25.409      
1 1 1 47  1  6  o 19 41.1276      1.83111     1319.51   38.5321      2151.83   38.5321      482.085   38.5321      
1 1 1 47  1  7  o 5  12.2036      1.0093      516.649   168.126      783.008   168.126      157.092   168.126      
1 1 1 47  1  8  o 8  23.969       1.10859     1241.9    -67.6917     1232.05   -67.6917     52.533    -67.6917     
1 1 1 47  1  9  o 6  20.9577      1.07699     550.444   -62.1839     1517.88   -62.1839     510.253   -62.1839     
1 1 1 47  1  10 o 14 4.34841      0.645322    450.623   115.035      ?         ?            ?         ?            
1 1 1 47  1  11 o 3  22.2241      1.40325     964.741   -104.47      1298.38   -104.47      210.37    -104.47      
1 1 1 47  1  12 o 19 7.64772      1.02939     722.257   115.286      537.072   115.286      62.8507   -64.7136     
1 1 1 47  1  13 o 17 11.3079      0.940058    756.858   -91.2954     859.065   -91.2954     86.8192   -91.2954     
1 1 1 47  1  14 o 11 3.06282      0.676499    540.6     38.073       59.3595   38.073       202.8     -141.927     
1 1 1 47  1  15 o 16 1.9386       0.613404    237.857   53.628       ?         ?            ?         ?            
1 1 1 47  1  16 o 19 4.88387      0.645915    290.496   -13.0029     729.892   -13.0029     251.464   -13.0029     
1 1 1 47  1  17 o 7  0.871705     0.53375     175.345   -176.629     ?         ?            ?         ?            
1 1 1 47  3  0  o 8  2.43326      0.767749    547.458   -35.5692     196.749   144.431      328.784   144.431      
1 1 1 47  3  1  o 11 6.46031      1.02922     527.114   8.8623       234.493   8.8623       106.76    -171.138     
1 1 1 47  3  2  o 7  5.99772      0.590845    709.192   -84.6447     48.604    -84.6447     280.969   95.3553      
1 1 1 47  3  3  o 16 21.3785      1.05537     1022.67   86.6437      1316.52   86.6437      211.356   86.6437      
1 1 1 47  3  4  o 7  39.8178      1.67207     558.35    -148.913     2018.35   -148.913     761.35    -148.913     
1 1 1 47  3  5  o 16 78.0813      2.43958     1840.42   -51.7764     2960.85   -51.7764     652.635   -51.7764     
1 1 1 47  3  6  o 15 44.498       1.65197     848.026   -84.8755     2582.56   -84.8755     906.774   -84.8755     
1 1 1 47  3  7  f 0  2.51831      0.540293    24.754    -165.754     3.56569   14.2463      13.0212   14.2463      
1 1 1 47  3  8  o 8  3.70567      0.591464    679.053   72.6347      433.921   -107.365     524.151   -107.365     
1 1 1 47  3  9  o 11 22.0441      1.16422     932.949   111.438      1451.6    111.438      304.921   111.438      
1 1 1 47  3  10 o 2  1.36542      0.737201    648.03    95.0842      473.186   -84.9158     530.163   -84.9158     
1 1 1 47  3  11 o 19 3.33212      0.588742    654.983   66.6518      10.8869   -113.348     305.129   -113.348     
1 1 1 47  3  12 o 13 3.35622      0.587428    108.041   -145.769     71.5134   34.231       85.2078   34.231       
1 1 1 47  3  13 o 4  3.58808      0.832143    503.547   -114.468     360.479   -114.468     43.1366   65.5319      
1 1 1 47  3  14 o 10 14.3164      1.05143     673.133   82.8022      1387.92   82.8022      413.307   82.8022      
1 1 1 47  3  15 o 9  2.51707      0.625204    117.149   100.579      21.6416   100.579      35.6246   -79.4209     
1 1 1 47  3  16 o 9  3.38632      0.62876     198.279   -107.198     459.011   -107.198     153.132   -107.198     
1 1 1 47  5  0  o 14 19.2107      1.64959     617.91    -62.3497     1151.8    -62.3497     303.546   -62.3497     
1 1 1 47  5  1  o 3  30.7642      1.7676      860.843   -47.7401     1884.93   -47.7401     560.23    -47.7401     
1 1 1 47  5  2  f 0  31.2159      1.41197     1078.73   39.1078      1558.96   39.1078      296.529   39.1078      
1 1 1 47  5  3  o 8  9.81624      0.839074    729.664   93.4885      508.357   93.4885      74.9855   -86.5115     
1 1 1 47  5  4  o 7  16.2666      1.01986     639.214   -145.373     537.357   -145.373     21.1829   34.6272      
1 1 1 47  5  5  o 11 7.29202      0.635378    316.239   -120.567     59.6217   59.4327      173.419   59.4327      
1 1 1 47  5  6  o 7  51.8135      1.94562     1481.45   39.0685      2516.01   39.0685      586.766   39.0685      
1 1 1 47  5  7  f 0  5.69454      0.661546    899.599   -39.0006     141.09    -39.0006     335.644   140.999      
1 1 1 47  5  8  o 15 2.60658      0.604978    454.761   78.8945      3.78011   -101.106     207.152   -101.106     
1 1 1 47  5  9  f 0  10.8563      1.16164     380.541   -160.779     956.671   -160.779     305.537   -160.779     
1 1 1 47  5  10 o 2  0.210822     0.453895    282.955   100.78       ?         ?            ?         ?            
1 1 1 47  5  11 o 4  1.68026      0.574198    395.156   -40.6077     ?         ?            ?         ?            
1 1 1 47  5  12 o 1  9.00938      0.824785    496.078   62.8708      618.462   62.8708      89.3529   62.8708      
1 1 1 47  5  13 o 11 2.54341      0.607236    208.334   111.407      197.212   111.407      11.4881   111.407      
1 1 1 47  5  14 o 14 4.61847      0.735724    558.949   -93.7392     591.937   -93.7392     73.634    -93.7392     
1 1 1 47  5  15 o 15 -0.80702     0.533456    110.751   70.0347      81.2666   -109.965     83.549    -109.965     
1 1 1 47  5  16 o 12 4.30424      0.87536     403.004   173.345      564.711   173.345      130.252   173.345      
1 1 1 47  7  0  o 3  6.96716      0.625136    944.652   147.079      226.783   147.079      315.586   -32.9205     
1 1 1 47  7  1  o 4  2.20896      0.47563     574.386   -104.953     318.948   75.0474      420.289   75.0474      
1 1 1 47  7  2  o 7  2.47372      0.583344    282.097   -15.1081     211.089   164.892      233.515   164.892      
1 1 1 47  7  3  o 1  2.35463      0.489997    858.022   129.39       267.927   -50.6101     522.436   -50.6101     
1 1 1 47  7  4  o 3  18.2796      1.05577     799.272   -60.1071     1032.61   -60.1071     155.285   -60.1071     
1 1 1 47  7  5  o 15 35.0691      1.51777     1141.96   34.9015      2104.98   34.9015      537.325   34.9015      
1 1 1 47  7  6  o 5  20.6771      1.14959     964.802   91.1672      1472.94   91.1672      300.381   91.1672      
1 1 1 47  7  7  o 13 6.44417      0.985022    330.251   141.653      428.191   141.653      63.9122   141.653      
1 1 1 47  7  8  o 13 6.38103      0.801661    372.947   121.511      473.16    121.511      65.7233   121.511      
1 1 1 47  7  9  o 11 1.85352      0.582043    162.18    -32.8618     66.4387   -32.8618     41.063    147.138      
1 1 1 47  7  10 o 4  3.4581       0.663473    599.564   -10.7923     130.348   -10.7923     203.886   169.208      
1 1 1 47  7  11 o 14 2.02548      0.636966    406.254   -165.126     61.1566   -165.126     143.586   14.8744      
1 1 1 47  7  12 o 5  0.00615322   0.501118    225.056   -78.5304     ?         ?            ?         ?            
1 1 1 47  7  13 o 3  0.612183     0.52994     205.956   132.284      ?         ?            ?         ?            
1 1 1 47  7  14 o 16 1.12701      0.746482    212.672   -78.5668     ?         ?            ?         ?            
1 1 1 47  9  0  o 17 8.61135      0.795637    529.477   -152.687     708.709   -152.687     115.286   -152.687     
1 1 1 47  9  1  o 8  11.2148      0.827879    1320.41   -12.4281     541.688   -12.4281     326.089   167.572      
1 1 1 47  9  2  o 7  5.78946      0.673412    423.884   171.626      535.347   171.626      75.5809   171.626      
1 1 1 47  9  3  o 2  3.32321      0.605536    343.953   60.6659      186.256   60.6659      63.3402   -119.334     
1 1 1 47  9  4  o 9  5.84549      0.726545    619.177   -136.229     518.206   -136.229     23.9152   43.7714      
1 1 1 47  9  5  o 12 5.93498      0.703644    341.845   -5.7007      650.933   -5.7007      168.646   -5.7007      
1 1 1 47  9  6  o 18 6.92421      0.993213    633.232   96.2727      533.756   96.2727      23.0542   -83.7273     
1 1 1 47  9  7  o 10 12.1337      0.916132    681.873   158.377      1154.42   158.377      269.281   158.377      
1 1 1 47  9  8  o 18 2.35118      0.614       306.701   59.5143      260.645   59.5143      4.02405   -120.486     
1 1 1 47  9  9  o 7  1.2595       0.57273     131.263   28.6085      62.4172   -151.391     86.2352   -151.391     
1 1 1 47  9  10 o 17 1.77973      0.729012    404.181   -18.4046     162.82    -18.4046     81.1111   161.595      
1 1 1 47  9  11 o 17 1.41306      0.548415    226.255   -87.2979     ?         ?            ?         ?            
1 1 1 47  9  12 o 13 1.00612      0.582546    316.198   -137.164     41.653    42.836       141.778   42.836       
1 1 1 47  11 0  o 19 1.13245      0.525242    828.504   126.787      340.865   -53.2133     547.53    -53.2133     
1 1 1 47  11 1  o 9  4.79743      0.650796    407.998   -72.8015     557.276   -72.8015     93.9808   -72.8015     
1 1 1 47  11 2  o 2  1.40507      0.601941    441.561   -19.9145     0.333917  -19.9145     197.717   160.086      
1 1 1 47  11 3  o 19 4.92832      0.674505    436.266   52.5358      646.529   52.5358      130.815   52.5358      
1 1 1 47  11 4  o 19 1.24717      0.560163    778.73    -170.593     268.414   9.40685      470.01    9.40685      
1 1 1 47  11 5  o 9  3.66714      0.785712    669.299   131.826      364.41    131.826      98.2846   -48.1739     
1 1 1 47  11 6  o 3  1.73394      0.616595    642.387   -0.211542    82.2131   179.788      302.443   179.788      
1 1 1 47  11 7  o 16 0.96703      0.621444    143.596   68.8796      38.2011   68.8796      37.9621   -111.12      
1 1 1 47  11 8  o 15 0.920859     0.569577    627.357   137.41       156.868   -42.59       324.041   -42.59       
1 1 1 47  11 9  o 14 3.32052      0.741009    409.153   11.8079      456.98    11.8079      71.6069   11.8079      
1 1 1 47  11 10 o 17 1.08997      0.641362    80.5425   83.776       71.9383   83.776       5.72947   83.776       
1 1 1 47  13 0  o 16 1.89052      0.479086    524.755   -34.1906     188.666   -34.1906     112.91    145.809      
1 1 1 47  13 1  o 10 1.64381      0.485589    346.686   163.168      217.13    163.168      27.7644   -16.8317     
1 1 1 47  13 2  o 10 0.883325     0.497081    451.412   -62.425      9.40815   -62.425      171.871   117.575      
1 1 1 47  13 3  o 17 0.48159      0.545883    275.733   31.7354      4.88362   -148.265     109.455   -148.265     
1 1 1 47  13 4  o 11 -0.180729    0.439401    386.906   148.742      213.457   -31.2577     254.808   -31.2577     
1 1 1 47  13 5  o 5  1.21267      0.557659    321.082   -40.5045     140.302   -40.5045     50.4589   139.496      
1 1 1 48  0  0  o 10 111.307      6.40458     2723.98   -1.15487e-14 3260.44   8.02251e-15  497.761   5.25491e-14  
1 1 1 48  0  1  o 8  3.97451      0.828637    592.782   180          4.17181   8.29864e-13  250.871   6.90003e-15  
1 1 1 48  0  2  o 2  8.46017      0.750081    1302      0            120.515   0            493.333   180          
1 1 1 48  0  3  o 18 79.9513      3.32143     2162.75   180          3115.24   180          623.163   180          
1 1 1 48  0  4  o 7  24.1954      2.0153      1139.69   0            1565.89   0            281.789   0            
1 1 1 48  0  5  o 5  11.3308      1.37171     904.323   180          ?         ?            ?         ?            
1 1 1 48  0  6  o 7  16.0992      1.19332     386.182   180          1045.61   180          348.184   180          
1 1 1 48  0  7  o 13 148.907      5.66408     2995.7    0            4068.42   0            673.786   0            
1 1 1 48  0  8  o 8  0.446043     0.615046    289.863   180          260.664   5.3408e-17   261.656   2.66028e-17  
1 1 1 48  0  9  o 9  8.35491      1.12714     1139.75   180          97.5832   6.69511e-14  563.136   5.80082e-15  
1 1 1 48  0  10 < 2  -1.34973     0.282835    153.8     0            ?         ?            ?         ?            
1 1 1 48  0  11 f 0  16.4215      2.23611     827.543   180          1408.72   180          326.655   180          
1 1 1 48  0  12 o 19 0.75795      0.939526    376.13    0            ?         ?            ?         ?            
1 1 1 48  0  13 o 1  3.23008      0.91816     434.643   180          ?         ?            ?         ?            
1 1 1 48  0  14 o 7  1.94948      0.786147    243.381   180          65.2935   180          70.1544   1.35472e-14  
1 1 1 48  0  15 o 7  7.0429       1.06133     518.328   0            966.987   0            276.692   0            
1 1 1 48  0  16 o 3  5.14239      0.998428    693.922   0            69.4049   0            234.39    180          
1 1 1 48  0  17 o 7  2.44457      0.899067    112.766   180          ?         ?            ?         ?            
1 1 1 48  2  0  o 19 4.3824       0.766284    527.515   -128.744     1.00662   -128.744     221.396   51.2558      
1 1 1 48  2  1  o 10 13.5067      0.877171    721.721   -49.8383     882.272   -49.8382     134.539   -49.8382     
1 1 1 48  2  2  o 14 27.4381      1.06978     1214.25   87.8935      1392.82   87.8935      173.833   87.8935      
1 1 1 48  2  3  o 5  7.20981      0.607409    383.741   35.469       211.283   35.469       62.0507   -144.531     
1 1 1 48  2  4  o 5  2.81029      0.518253    899.963   -40.6502     ?         ?            ?         ?            
1 1 1 48  2  5  o 12 1.99607      0.53495     519.516   -90.7592     ?         ?            ?         ?            
1 1 1 48  2  6  o 5  83.0649      2.76693     1993.63   -118.306     3134.08   -118.306     663.023   -118.306     
1 1 1 48  2  7  o 9  3.78814      0.596538    434.07    -116.283     22.3363   -116.283     185.893   63.7166      
1 1 1 48  2  8  o 3  10.6308      0.856888    250.611   -5.2686      243.811   -5.2686      8.5467    -5.2686      
1 1 1 48  2  9  o 14 18.0509      0.981928    1178.99   -63.2588     1005.99   -63.2588     28.8801   116.741      
1 1 1 48  2  10 o 19 3.16208      0.770168    415.257   39.4414      295.162   -140.559     335.748   -140.559     
1 1 1 48  2  11 o 17 14.9822      1.00345     605.876   122.723      1012.83   122.723      229.123   122.723      
1 1 1 48  2  12 o 19 19.0551      1.22984     950.531   10.7788      1250.63   10.7788      190.437   10.7788      
1 1 1 48  2  13 o 3  2.39768      0.636032    451.492   -1.68692     71.5996   -1.68692     164.131   178.313      
1 1 1 48  2  14 o 19 2.73328      0.655965    566.119   -135.209     294.499   -135.209     88.24     44.7911      
1 1 1 48  2  15 o 17 0.296427     0.518161    351.131   -30.3964     ?         ?            ?         ?            
1 1 1 48  2  16 o 6  2.33256      0.592346    81.0284   -50.107      43.7303   129.893      53.0225   129.893      
1 1 1 48  4  0  o 15 4.62089      0.566202    452.92    -26.9201     23.6744   -26.9201     185.622   153.08       
1 1 1 48  4  1  o 1  106.424      2.86347     2450.79   157.127      3439.68   157.127      642.135   157.127      
1 1 1 48  4  2  o 18 23.7363      1.19319     1316.6    -33.9673     1215.08   -33.9674     22.724    -33.9674     
1 1 1 48  4  3  o 14 4.52132      0.666973    376.383   126.046      74.7054   -53.954      206.216   -53.954      
1 1 1 48  4  4  o 9  9.21954      0.75121     1254.65   138.195      355.903   -41.8047     745.324   -41.8047     
1 1 1 48  4  5  o 11 2.09007      0.524251    102.521   -61.2873     30.1986   118.713      61.6452   118.713      
1 1 1 48  4  6  f 0  31.8998      1.56103     1345.65   -83.1376     1715.46   -83.1376     247.201   -83.1376     
1 1 1 48  4  7  o 1  19.2138      1.12475     603.216   -179.132     1338.84   -179.132     396.72    -179.132     
1 1 1 48  4  8  f 0  43.2533      1.7023      1556.38   -12.9693     2080.56   -12.9693     338.149   -12.9693     
1 1 1 48  4  9  o 3  5.10366      0.917113    325.601   109.326      279.292   109.326      7.83321   -70.6739     
1 1 1 48  4  10 o 5  11.2869      0.886734    534.096   151.568      1091.95   151.568      301.803   151.568      
1 1 1 48  4  11 o 8  3.32058      0.602465    761.364   144.434      ?         ?            ?         ?            
1 1 1 48  4  12 o 1  20.8335      1.23874     687.546   5.72736      1787.68   5.72736      585.967   5.72736      
1 1 1 48  4  13 o 10 2.59939      0.654028    580.159   22.6033      106.029   22.6033      192.835   -157.397     
1 1 1 48  4  14 o 2  5.27608      0.905654    553.964   -155.484     415.264   -155.484     14.3197   24.5164      
1 1 1 48  4  15 o 18 5.70185      0.739674    478.061   134.981      788.006   134.981      207.724   134.981      
1 1 1 48  4  16 o 13 2.71582      0.731481    437.592   -24.575      261.843   -24.575      33.0411   155.425      
1 1 1 48  6  0  o 4  20.8051      1.10828     1002.88   -50.473      1199.26   -50.473      145.809   -50.473      
1 1 1 48  6  1  o 14 58.4137      2.4388      1351.56   129.491      2753.33   129.491      763.76    129.491      
1 1 1 48  6  2  o 13 38.4129      1.41582     1578.87   -173.047     1848.19   -173.047     207.16    -173.047     
1 1 1 48  6  3  o 17 12.032       0.884348    915.273   1.51374      723.646   1.51374      53.6791   -178.486     
1 1 1 48  6  4  o 11 31.4035      1.39404     668.482   155.186      2115.38   155.186      754.837   155.186      
1 1 1 48  6  5  o 18 5.82502      0.636561    939.009   -74.2832     35.5231   105.717      441.969   105.717      
1 1 1 48  6  6  o 3  25.5367      1.21437     188.726   -100.494     1531.55   -100.494     680.633   -100.494     
1 1 1 48  6  7  o 1  2.67487      0.632021    360.331   110.097      64.1195   -69.9035     195.064   -69.9035     
1 1 1 48  6  8  o 7  35.598       1.74625     1088.26   -132.429     1874.95   -132.429     441.513   -132.429     
1 1 1 48  6  9  o 15 6.9109       0.740009    676.401   83.2667      423.392   83.2667      98.6192   -96.7333     
1 1 1 48  6  10 o 3  5.54116      0.700819    542.456   155.079      417.988   155.079      38.17     -24.9214     
1 1 1 48  6  11 f 0  11.3613      0.982135    641.542   73.102       1174.79   73.102       304.664   73.102       
1 1 1 48  6  12 o 4  5.65889      0.72866     422.903   172.987      447.984   172.987      47.6658   172.987      
1 1 1 48  6  13 o 8  4.42866      0.657852    334.865   -112.188     555.968   -112.188     144.729   -112.188     
1 1 1 48  6  14 o 3  2.68013      0.795968    561.184   110.801      265.271   110.801      85.2934   -69.1995     
1 1 1 48  6  15 o 8  7.99101      0.965788    374.296   82.081       1005.14   82.081       362.209   82.081       
1 1 1 48  8  0  o 3  3.57509      0.564783    556.402   -2.6433      78.5521   -2.6433      211.981   177.357      
1 1 1 48  8  1  o 10 9.7533       0.826085    979.913   177.365      637.421   177.365      123.471   -2.63485     
1 1 1 48  8  2  o 19 7.74079      0.764113    347.156   36.0643      634.727   36.0643      160.748   36.0643      
1 1 1 48  8  3  o 7  7.24525      0.734026    699.24    -85.2459     517.786   -85.2459     56.8968   94.7541      
1 1 1 48  8  4  o 17 1.51082      0.521539    333.419   -87.9529     121.402   92.0471      211.763   92.0471      
1 1 1 48  8  5  o 1  9.99095      0.942969    473.606   -123.531     997.215   -123.531     282.858   -123.531     
1 1 1 48  8  6  o 2  2.94119      0.725626    309.852   -54.1702     147.216   -54.1702     68.3577   125.83       
1 1 1 48  8  7  o 5  5.39403      0.736117    498.855   99.1878      581.31    99.1878      61.9307   99.1878      
1 1 1 48  8  8  o 14 16.2295      1.27478     703.809   166.181      1430.93   166.181      396.823   166.181      
1 1 1 48  8  9  o 4  1.17189      0.614754    69.378    132.821      17.7058   -47.1786     39.2555   -47.1786     
1 1 1 48  8  10 o 9  5.33219      0.730444    456.711   35.4913      693.047   35.4913      155.785   35.4913      
1 1 1 48  8  11 o 2  3.26868      0.654377    304.269   37.8971      236.822   37.8971      3.31751   -142.103     
1 1 1 48  8  12 o 11 0.420067     0.511598    190.531   -147.298     ?         ?            ?         ?            
1 1 1 48  8  13 o 13 4.22443      1.08315     130.738   72.0516      590.374   72.0516      245.756   72.0516      
1 1 1 48  10 0  f 0  2.05324      0.581388    615.484   -22.6005     36.6659   157.399      300.445   157.399      
1 1 1 48  10 1  o 3  2.40036      0.606408    102.994   20.3707      68.3909   20.3707      13.0594   -159.629     
1 1 1 48  10 2  o 7  12.944       0.892886    946.471   86.073       1022.26   86.073       76.995    86.073       
1 1 1 48  10 3  o 12 0.331914     0.470539    325.458   -128         ?         ?            ?         ?            
1 1 1 48  10 4  o 12 0.65728      0.525175    312.634   91.5798      ?         ?            ?         ?            
1 1 1 48  10 5  o 9  2.11558      0.696234    563.226   69.6686      101.677   -110.331     301.045   -110.331     
1 1 1 48  10 6  o 4  0.329159     0.498488    356.454   -170.319     242.847   9.68067      275.167   9.68067      
1 1 1 48  10 7  f 0  5.13873      0.716081    378.401   -69.034      722.499   -69.034      203.918   -69.034      
1 1 1 48  10 8  o 18 0.58357      0.538394    173.885   -56.875      58.5106   123.125      99.1503   123.125      
1 1 1 48  10 9  o 2  4.16811      0.675158    498.566   166.475      610.235   166.475      108.924   166.475      
1 1 1 48  10 10 o 3  0.813327     0.638821    411.353   -81.9655     ?         ?            ?         ?            
1 1 1 48  10 11 o 13 2.75906      0.813409    250.501   -22.3426     488.744   -22.3426     150.513   -22.3426     
1 1 1 48  12 0  o 14 3.61856      0.595645    424.921   82.3645      469.912   82.3645      57.8611   82.3645      
1 1 1 48  12 1  o 3  1.26614      0.499406    251.028   155.371      69.1558   155.371      68.8149   -24.6294     
1 1 1 48  12 2  o 6  0.635751     0.476345    393.731   86.3768      89.6905   -93.6232     204.744   -93.6232     
1 1 1 48  12 3  o 4  1.20792      0.528261    380.101   -28.6967     81.675    -28.6967     111.332   151.303      
1 1 1 48  12 4  o 17 0.395225     0.500294    202.119   68.5555      74.5865   -111.445     117.229   -111.445     
1 1 1 48  12 5  o 2  1.83228      0.554774    226.292   -112.154     218.521   -112.154     20.6394   -112.154     
1 1 1 48  12 6  o 4  1.92445      0.550478    498.897   -178.794     256.036   -178.794     64.7653   1.20577      
1 1 1 48  12 7  o 10 0.494628     0.539344    299.956   -84.3553     174.676   95.6447      200.474   95.6447      
1 1 1 48  14 0  o 16 0.0943018    0.713288    225.696   77.4847      2.29202   -102.515     86.1189   -102.515     
1 1 1 49  1  0  o 17 51.2997      1.92672     1632.38   154.887      2178.86   154.887      398.744   154.887      
1 1 1 49  1  1  o 11 21.1192      0.94763     654.82    -88.1854     1411.71   -88.1854     425.99    -88.1854     
1 1 1 49  1  2  o 7  119.308      3.46927     3047.89   45.489       3306.34   45.489       333.536   45.489       
1 1 1 49  1  3  o 13 34.2175      1.73409     1264.73   -20.1866     1811.92   -20.1866     350.217   -20.1866     
1 1 1 49  1  4  o 5  50.9415      2.0241      1890.95   146.356      2093.86   146.356      203.782   146.356      
1 1 1 49  1  5  o 13 42.9371      1.7612      1721.16   161.767      1912.91   161.767      180.007   161.767      
1 1 1 49  1  6  o 15 6.76372      0.765175    884.341   179.745      78.7016   -0.254993    440.726   -0.254993    
1 1 1 49  1  7  o 16 33.1403      1.59797     1039.79   110.931      1959      110.931      507.717   110.931      
1 1 1 49  1  8  o 1  33.5453      1.52181     952.899   -145.623     1906.18   -145.623     522.451   -145.623     
1 1 1 49  1  9  o 3  15.9902      0.968664    960.152   148.087      1020.77   148.087      77.1508   148.087      
1 1 1 49  1  10 o 15 4.27738      0.778149    500.322   155.042      ?         ?            ?         ?            
1 1 1 49  1  11 o 4  24.9933      1.52081     451.297   60.2252      1869.67   60.2252      728.008   60.2252      
1 1 1 49  1  12 f 0  6.66389      0.818728    630.624   166.804      83.2923   -13.1964     329.352   -13.1964     
1 1 1 49  1  13 o 13 4.79957      0.712194    119.098   -165.064     338.275   -165.064     116.863   -165.064     
1 1 1 49  1  14 o 11 1.40082      0.559492    36.3107   -1.87114     15.5578   178.129      22.7348   178.129      
1 1 1 49  1  15 o 17 2.74646      0.627123    783.117   -152.839     ?         ?            ?         ?            
1 1 1 49  1  16 o 15 1.58415      0.553666    434.039   131.722      52.5806   131.722      139.4     -48.2776     
1 1 1 49  3  0  o 2  34.6155      1.32339     1303.16   -168.262     1706.04   -168.262     288.203   -168.262     
1 1 1 49  3  1  o 1  1.90364      0.459989    635.697   14.2809      465.285   -165.719     510.714   -165.719     
1 1 1 49  3  2  o 11 6.39775      0.665406    482.581   145.916      141.388   145.916      142.721   -34.0839     
1 1 1 49  3  3  o 9  3.31683      0.485667    930.382   50.0426      ?         ?            ?         ?            
1 1 1 49  3  4  o 14 44.7067      1.74058     1433.26   -44.6194     1934.41   -44.6194     320.254   -44.6194     
1 1 1 49  3  5  o 9  28.8467      1.2883      612.986   118.272      1842.45   118.272      643.056   118.272      
1 1 1 49  3  6  o 12 17.0204      1.07219     475.1     -132.391     1093.6    -132.391     331.145   -132.391     
1 1 1 49  3  7  o 8  5.38394      0.646814    657.191   98.009       158.232   98.009       218.179   -81.991      
1 1 1 49  3  8  o 13 27.03        1.33552     456.649   -152.066     1877.02   -152.066     732.499   -152.066     
1 1 1 49  3  9  o 13 8.62359      0.993066    945.058   -90.7753     172.417   -90.7753     341.453   89.2247      
1 1 1 49  3  10 o 6  5.03739      0.660561    486.374   -95.0428     70.7024   -95.0428     186.769   84.9572      
1 1 1 49  3  11 o 7  1.81483      0.558372    342.116   -63.888      ?         ?            ?         ?            
1 1 1 49  3  12 o 18 18.8741      1.29767     491.857   -172.583     1729.44   -172.583     643.677   -172.583     
1 1 1 49  3  13 o 7  12.615       1.21339     698.803   0.684565     1233.1    0.684565     318.876   0.684565     
1 1 1 49  3  14 o 17 6.03071      0.699341    318.518   25.302       856.587   25.302       300.273   25.302       
1 1 1 49  3  15 o 7  1.97746      0.62338     279.878   -5.26547     185.169   -5.26547     16.6629   174.735      
1 1 1 49  3  16 o 5  7.54651      0.938468    302.785   171.765      1107.49   171.765      440.25    171.765      
1 1 1 49  5  0  f 0  53.2033      2.2535      1693.61   86.3621      2136.1    86.3621      306.968   86.3621      
1 1 1 49  5  1  o 9  1.23233      0.580727    196.505   141.701      ?         ?            ?         ?            
1 1 1 49  5  2  o 6  6.8198       0.636163    676.652   -62.2862     213.204   -62.2862     199.948   117.714      
1 1 1 49  5  3  f 0  34.7048      1.50202     1052.33   -131.661     2009.33   -131.661     526.868   -131.661     
1 1 1 49  5  4  o 11 30.0988      1.59262     1638.5    -1.20935     1080.89   -1.20935     203.291   178.791      
1 1 1 49  5  5  o 2  59.9454      2.20285     1915.53   -87.5857     2456.58   -87.5856     361.029   -87.5856     
1 1 1 49  5  6  o 13 27.5461      1.43407     1083.13   165.778      1727.85   165.778      374.986   165.778      
1 1 1 49  5  7  o 13 6.11521      0.765827    575.155   -71.4054     108.676   108.595      313.944   108.595      
1 1 1 49  5  8  o 14 8.10034      0.983639    461.945   102.264      755.06    102.264      167.903   102.264      
1 1 1 49  5  9  o 5  10.3985      0.848009    803.269   -58.2021     394.389   -58.2021     170.46    121.798      
1 1 1 49  5  10 o 16 7.31221      0.738106    749.317   74.5278      498.572   74.5278      94.036    -105.472     
1 1 1 49  5  11 o 18 18.999       1.18752     545.014   -140.371     1710.85   -140.371     611.253   -140.371     
1 1 1 49  5  12 o 8  2.68116      0.625071    108.734   -84.4587     5.6272    -84.4587     43.4768   95.5413      
1 1 1 49  5  13 o 10 0.857694     0.680313    195.251   16.8367      9.12146   16.8367      74.0976   -163.163     
1 1 1 49  5  14 o 9  4.37194      0.713226    588.564   30.859       544.914   30.859       42.1295   30.859       
1 1 1 49  5  15 o 12 3.37949      0.926447    347.783   -96.0854     323.383   -96.0854     30.6815   -96.0854     
1 1 1 49  7  0  o 15 1.49458      0.496136    172.662   -108.92      78.0742   71.0803      117.3     71.0803      
1 1 1 49  7  1  o 18 4.26847      0.565805    641.055   127.903      72.4927   127.903      253.951   -52.0966     
1 1 1 49  7  2  o 3  1.64986      0.541109    249.02    -92.7127     211.148   87.2873      218.113   87.2873      
1 1 1 49  7  3  o 7  23.6742      1.77988     315.622   108.994      1709.23   108.994      712.183   108.994      
1 1 1 49  7  4  o 1  0.950948     0.497289    541.014   116.678      ?         ?            ?         ?            
1 1 1 49  7  5  o 19 10.6274      0.968168    800.18    -116.968     596.185   -116.968     63.9335   63.0317      
1 1 1 49  7  6  o 2  9.47623      0.992479    699.286   -106.294     783.055   -106.294     73.2836   -106.294     
1 1 1 49  7  7  f 0  3.37573      0.821009    84.4971   -85.2834     80.13     -85.2834     1.35389   -85.2834     
1 1 1 49  7  8  o 18 46.9703      1.6391      1233.43   7.28063      2500.54   7.28063      685.015   7.28063      
1 1 1 49  7  9  o 6  1.55944      0.566431    406.149   54.2559      146.368   -125.744     256.259   -125.744     
1 1 1 49  7  10 o 15 4.41178      0.695877    290.098   143.732      586.952   143.732      167.795   143.732      
1 1 1 49  7  11 o 13 7.31023      0.759889    583.449   55.6995      774.854   55.6995      147.502   55.6995      
1 1 1 49  7  12 o 10 1.88304      0.631356    67.6701   -109.528     ?         ?            ?         ?            
1 1 1 49  7  13 o 2  1.43849      0.691471    287.432   163.159      11.7523   -16.8413     117.121   -16.8413     
1 1 1 49  7  14 o 17 -0.869522    0.650587    244.657   -14.7163     ?         ?            ?         ?            
1 1 1 49  9  0  o 4  5.14136      0.657773    905.812   28.6325      198.09    28.6325      312.11    -151.368     
1 1 1 49  9  1  o 19 0.737817     0.478874    102.536   17.7772      71.2128   -162.223     82.2642   -162.223     
1 1 1 49  9  2  o 16 4.70501      0.611248    282.612   -33.315      313.276   -33.3149     27.609    -33.3149     
1 1 1 49  9  3  o 15 7.44439      0.820281    335.727   93.0285      757.502   93.0285      224.943   93.0285      
1 1 1 49  9  4  o 15 1.1828       0.56083     215.441   19.5354      82.973    -160.465     140.345   -160.465     
1 1 1 49  9  5  o 4  2.10858      0.71397     304.136   -90.019      59.1392   89.981       168.585   89.981       
1 1 1 49  9  6  o 13 0.36257      0.541709    219.846   8.92848      ?         ?            ?         ?            
1 1 1 49  9  7  o 17 2.99917      0.609499    655.417   -22.6052     201.748   -22.6052     186.181   157.395      
1 1 1 49  9  8  o 15 5.27932      0.721503    367.002   -169.655     756.338   -169.655     223.79    -169.655     
1 1 1 49  9  9  o 10 17.9079      1.09956     575.278   -8.22998     1713.94   -8.22998     624.51    -8.22998     
1 1 1 49  9  10 o 3  5.72018      0.902802    343.559   104.288      746.617   104.288      237.96    104.288      
1 1 1 49  9  11 o 19 1.53648      0.704394    255.059   132.677      170.022   132.677      13.4286   -47.3235     
1 1 1 49  9  12 o 11 3.97987      0.977269    518.851   19.7423      487.749   19.7423      49.2769   19.7423      
1 1 1 49  11 0  o 5  1.80287      0.501554    712.129   -74.2143     58.9927   105.786      346.545   105.786      
1 1 1 49  11 1  o 5  2.25673      0.560827    819.619   61.0701      4.5685    -118.93      363.405   -118.93      
1 1 1 49  11 2  o 16 0.414977     0.466462    356.904   -127.303     288.881   52.6971      299.284   52.6971      
1 1 1 49  11 3  o 7  1.77986      0.512978    235.167   -166.437     117.783   -166.437     41.0462   13.5625      
1 1 1 49  11 4  o 19 1.71618      0.682658    360.4     -38.1871     120.383   -38.1871     89.2414   141.813      
1 1 1 49  11 5  o 9  1.69113      0.565671    366.523   5.87099      71.6245   5.87099      112.449   -174.129     
1 1 1 49  11 6  o 3  1.89116      0.58871     423.367   76.1352      223.447   76.1352      56.2205   -103.865     
1 1 1 49  11 7  o 7  1.02608      0.662324    183.995   -68.6596     25.6793   -68.6596     59.1896   111.34       
1 1 1 49  11 8  o 13 2.30601      0.624699    322.121   -165.448     360.759   -165.448     56.5936   -165.448     
1 1 1 49  11 9  o 1  0.453193     0.669472    149.253   64.4767      ?         ?            ?         ?            
1 1 1 49  13 0  o 12 0.975166     0.534757    145.658   69.502       69.0356   69.502       22.2773   -110.498     
1 1 1 49  13 1  o 13 1.50544      0.480287    204.693   86.9718      241.055   86.9718      41.1374   86.9718      
1 1 1 49  13 2  o 19 0.941695     0.586141    375.274   157.703      70.4359   157.703      108.998   -22.2968     
1 1 1 49  13 3  o 17 0.324921     0.491144    154.711   127.34       56.9375   -52.6602     87.0768   -52.6602     
1 1 1 49  13 4  o 10 1.43277      0.532541    171.006   -121.293     232.721   -121.293     52.2848   -121.293     
1 1 1 50  0  0  o 14 9.49143      1.06004     1160.1    180          444.741   -180         274.551   -1.38585e-13 
1 1 1 50  0  1  o 10 0.67206      0.508763    287.248   180          ?         ?            ?         ?            
1 1 1 50  0  2  o 18 28.7731      4.63019     775.33    0            2002.25   0            661.537   0            
1 1 1 50  0  3  o 5  8.12281      1.01225     920.808   0            150.352   0            333.502   180          
1 1 1 50  0  4  o 17 5.29493      0.853483    1052.03   0            1.76743   0            471.679   180          
1 1 1 50  0  5  o 13 24.5797      1.63254     789.121   0            1952.38   0            618.783   0            
1 1 1 50  0  6  f 0  2.11469      0.749281    593.024   180          ?         ?            ?         ?            
1 1 1 50  0  7  o 18 54.8341      2.5186      1939.76   180          2218.67   180          230.583   180          
1 1 1 50  0  8  o 9  21.9159      1.78625     137.244   180          37.8883   1.59267e-14  80.8882   3.73006e-15  
1 1 1 50  0  9  o 14 33.4697      2.19362     1214.94   0            2114.27   0            508.259   0            
1 1 1 50  0  10 o 17 1.47809      1.40616     535.075   180          321.409   3.62506e-15  404.434   1.44044e-15  
1 1 1 50  0  11 o 2  2.86095      1.02584     583.845   180          ?         ?            ?         ?            
1 1 1 50  0  12 o 13 0.0414622    0.698771    333.253   0            ?         ?            ?         ?            
1 1 1 50  0  13 f 0  1.1865       0.818008    10.0458   180          ?         ?            ?         ?            
1 1 1 50  0  14 o 5  29.4393      2.19076     868.25    0            2246.43   0            771.167   0            
1 1 1 50  0  15 o 14 3.28325      0.971107    513.178   180          423.09    180          10.4197   180          
1 1 1 50  0  16 o 17 0.787896     0.754887    64.3593   0            12.7201   0            17.8889   180          
1 1 1 50  2  0  o 15 16.0159      0.845252    464.214   123.397      858.613   123.397      228.09    123.397      
1 1 1 50  2  1  f 0  14.521       0.868062    1353.55   24.9404      403.785   24.9404      390.323   -155.06      
1 1 1 50  2  2  o 9  7.93318      0.729444    762.224   -138.097     ?         ?            ?         ?            
1 1 1 50  2  3  o 18 11.2547      0.845057    752.055   16.1564      652.934   16.1564      9.97316   -163.844     
1 1 1 50  2  4  o 3  31.2291      1.63409     1341.3    -175.27      1526.92   -175.27      157.854   -175.27      
1 1 1 50  2  5  o 15 64.0286      2.09008     1526.75   72.3763      2569.07   72.3763      591.636   72.3763      
1 1 1 50  2  6  o 3  61.9249      2.20298     1819.99   34.5771      2533.2    34.5771      440.558   34.5771      
1 1 1 50  2  7  o 4  9.64811      0.836273    307.302   -45.15       475.985   -45.15       99.0005   -45.15       
1 1 1 50  2  8  o 10 7.55914      0.730175    497.794   19.3204      409.266   19.3204      19.936    -160.68      
1 1 1 50  2  9  o 7  49.0082      2.31029     1295.6    96.2656      2432.43   96.2656      629.746   96.2656      
1 1 1 50  2  10 o 14 28.1826      1.4772      1021.25   -84.7436     1728.83   -84.7436     397.822   -84.7436     
1 1 1 50  2  11 o 15 29.8347      1.68093     942.105   -160.285     1630.61   -160.285     383.301   -160.285     
1 1 1 50  2  12 o 4  4.5744       0.827977    444.419   156.446      177.856   156.446      110.436   -23.5541     
1 1 1 50  2  13 o 3  5.97267      0.718429    292.299   -161.252     741.695   -161.252     246.705   -161.252     
1 1 1 50  2  14 o 9  1.57674      0.604873    289.771   60.6927      188.148   60.6927      22.1544   -119.307     
1 1 1 50  2  15 o 12 2.11272      0.59062     26.7082   96.4713      ?         ?            ?         ?            
1 1 1 50  2  16 o 8  0.841803     0.529611    275.408   29.255       ?         ?            ?         ?            
1 1 1 50  4  0  o 13 25.3482      1.27434     1058.73   -125.395     1398.59   -125.395     226.701   -125.395     
1 1 1 50  4  1  o 19 32.7331      1.57485     1521.49   -17.6226     1357.85   -17.6226     4.17373   162.377      
1 1 1 50  4  2  o 12 7.75989      0.732726    725.921   -159.05      5.09791   20.9503      330.332   20.9503      
1 1 1 50  4  3  o 5  36.9074      1.79386     1272.77   112.281      1964.8    112.281      405.25    112.281      
1 1 1 50  4  4  o 7  6.12158      0.648469    598.745   -6.93094     ?         ?            ?         ?            
1 1 1 50  4  5  f 0  2.31466      0.535935    884.017   176.167      ?         ?            ?         ?            
1 1 1 50  4  6  o 1  55.6522      1.94536     1714.65   26.8094      2307.81   26.8094      379.057   26.8094      
1 1 1 50  4  7  o 3  21.6772      1.17092     1089.06   178.962      1437.2    178.962      227.286   178.962      
1 1 1 50  4  8  o 14 0.492154     0.643207    294.407   112.954      ?         ?            ?         ?            
1 1 1 50  4  9  o 4  1.44887      0.56452     732.823   72.3216      ?         ?            ?         ?            
1 1 1 50  4  10 o 5  2.50034      0.657334    614.191   -63.5611     38.0015   116.439      300.792   116.439      
1 1 1 50  4  11 o 15 1.11897      0.59179     93.9785   -94.8222     ?         ?            ?         ?            
1 1 1 50  4  12 o 17 3.46565      0.772724    630.292   -131.816     310.085   -131.816     116.725   48.1837      
1 1 1 50  4  13 o 17 17.7872      1.20217     698.73    141.987      1662.59   141.987      547.169   141.987      
1 1 1 50  4  14 o 15 1.44933      0.647712    250.269   -3.30731     114.214   -3.30731     41.2212   176.693      
1 1 1 50  4  15 o 17 -0.159521    0.576579    239.892   -30.7198     ?         ?            ?         ?            
1 1 1 50  6  0  o 5  11.5223      0.824549    366.12    -148.783     664.342   -148.783     165.905   -148.783     
1 1 1 50  6  1  o 18 9.22686      0.787716    1113.83   -31.3355     386.305   -31.3355     312.438   148.665      
1 1 1 50  6  2  o 4  0.713715     0.431514    369.412   128.192      ?         ?            ?         ?            
1 1 1 50  6  3  o 4  8.48965      0.852615    481.905   150.14       660.458   150.14       112.245   150.14       
1 1 1 50  6  4  o 5  14.2389      0.859519    569.514   -75.0827     1015.4    -75.0827     250.629   -75.0827     
1 1 1 50  6  5  o 2  16.0839      1.04419     1082.19   58.1048      815.586   58.1048      80.5033   -121.895     
1 1 1 50  6  6  o 19 3.88369      0.658439    180.423   -103.917     88.6783   -103.917     37.3308   76.083       
1 1 1 50  6  7  o 6  4.61101      0.697108    696.747   -18.7351     314.111   -18.7351     160.525   161.265      
1 1 1 50  6  8  o 15 8.09163      0.840995    913.009   -131.145     242.34    -131.145     297.621   48.8552      
1 1 1 50  6  9  o 6  8.33335      0.808675    435.615   -18.5742     703.033   -18.5742     152.603   -18.5742     
1 1 1 50  6  10 o 8  5.43916      0.720009    367.773   -91.8843     573.353   -91.8843     123.24    -91.8843     
1 1 1 50  6  11 o 12 2.62588      0.633271    144.373   -35.5716     132.952   -35.5716     5.4557    -35.5716     
1 1 1 50  6  12 o 14 2.06981      0.681049    130.592   -120.31      101.42    59.6902      103.202   59.6902      
1 1 1 50  6  13 o 3  6.32804      0.898353    489.412   58.3688      855.839   58.3688      236.363   58.3688      
1 1 1 50  6  14 o 3  2.50066      0.852041    196.531   -90.4993     201.344   -90.4993     26.4375   -90.4993     
1 1 1 50  8  0  o 7  5.05405      0.588674    626.168   -67.4684     301.142   -67.4684     132       112.532      
1 1 1 50  8  1  o 4  7.16598      0.736397    807.611   26.1994      305.202   26.1994      212.19    -153.801     
1 1 1 50  8  2  o 5  10.672       0.813109    304.964   -83.6428     896.9     -83.6428     310.409   -83.6428     
1 1 1 50  8  3  o 13 1.49952      0.523182    632.953   109.155      486.151   -70.8448     530.637   -70.8448     
1 1 1 50  8  4  o 9  13.9857      1.0716      828.554   145.97       1120.19   145.97       181.79    145.97       
1 1 1 50  8  5  o 11 3.46004      0.71972     783.407   139.908      105.325   -40.0925     411.909   -40.0925     
1 1 1 50  8  6  o 5  0.963159     0.58074     202.802   -51.0006     ?         ?            ?         ?            
1 1 1 50  8  7  f 0  3.02449      0.615951    563.355   -80.2937     130.717   -80.2937     189.598   99.7063      
1 1 1 50  8  8  o 17 0.626121     0.683296    430.692   45.7017      349.004   -134.298     363.726   -134.298     
1 1 1 50  8  9  f 0  2.16048      0.599409    440.637   -141.542     ?         ?            ?         ?            
1 1 1 50  8  10 o 12 10.1522      0.924181    554.086   -49.9395     1153.57   -49.9395     353.686   -49.9395     
1 1 1 50  8  11 o 8  1.57707      0.60103     424.569   -151.027     0.0922176 28.9729      166.794   28.9729      
1 1 1 50  8  12 o 15 1.98142      0.879163    232.206   72.6386      9.86787   72.6386      83.9321   -107.361     
1 1 1 50  10 0  o 13 12.3131      0.909259    992.823   158.213      829.337   158.213      40.2198   -21.7872     
1 1 1 50  10 1  o 12 4.6823       0.715122    472.279   -100.992     539.925   -100.992     54.1941   -100.992     
1 1 1 50  10 2  o 8  1.44016      0.661835    150.277   144.037      24.0135   144.037      56.2202   -35.9626     
1 1 1 50  10 3  o 6  1.51977      0.599205    143.203   135.022      52.0938   135.021      38.2022   -44.9785     
1 1 1 50  10 4  o 11 0.0430853    0.589887    103.469   -111.53      80.5599   68.4699      85.8038   68.4699      
1 1 1 50  10 5  o 6  1.47081      0.60622     471.33    -123.112     107.791   56.8879      255.586   56.8879      
1 1 1 50  10 6  o 14 3.03235      0.750773    73.1106   -86.401      82.1652   -86.401      10.8099   -86.401      
1 1 1 50  10 7  o 18 1.37007      0.601072    249.682   172.473      96.6017   172.473      52.0133   -7.52686     
1 1 1 50  10 8  o 10 1.07955      0.600198    265.698   -44.3301     97.4178   -44.3301     55.9493   135.67       
1 1 1 50  10 9  o 2  1.38219      0.616721    258.977   -157.31      170.398   -157.31      15.1428   22.6901      
1 1 1 50  10 10 o 5  0.613675     0.66776     372.696   53.8787      137.309   -126.121     208.654   -126.121     
1 1 1 50  12 0  o 15 0.837041     0.512927    277.972   9.47895      2.66413   9.47895      110.768   -170.521     
1 1 1 50  12 1  o 10 1.39035      0.513755    417.453   -94.1953     74.4939   -94.1953     129.702   85.8047      
1 1 1 50  12 2  o 7  0.703164     0.4999      407.834   -5.40464     118.061   174.595      220.725   174.595      
1 1 1 50  12 3  o 12 0.651262     0.573996    422.856   -158.891     49.9983   21.1093      191.325   21.1093      
1 1 1 50  12 4  o 7  0.400036     0.522228    137.564   74.0264      47.7513   -105.974     77.5366   -105.974     
1 1 1 50  12 5  o 19 -0.50526     0.465166    130.88    -16.0239     ?         ?            ?         ?            
1 1 1 50  12 6  o 17 2.481        0.599993    434.2     -36.5326     416.184   -36.5326     44.7407   -36.5326     
1 1 1 51  1  0  f 0  57.8641      2.41591     1274.12   -3.47166     2626.92   -3.47166     757.851   -3.47166     
1 1 1 51  1  1  o 7  76.3624      3.20407     2206.84   -178.633     2566.41   -178.633     312.146   -178.633     
1 1 1 51  1  2  o 12 42.2665      1.70066     1312.52   -125.722     2171.69   -125.722     502.311   -125.722     
1 1 1 51  1  3  o 7  5.2524       0.603836    1450.82   -112.663     565.212   67.3366      934.112   67.3366      
1 1 1 51  1  4  o 13 38.4262      1.56116     1914.39   67.9988      1387.37   67.9988      172.606   -112.001     
1 1 1 51  1  5  o 13 5.78223      0.73963     338.866   -26.3509     118.014   -26.3509     94.8668   153.649      
1 1 1 51  1  6  o 1  1.40564      0.562595    148.353   101.958      74.0162   -78.0415     104.293   -78.0415     
1 1 1 51  1  7  o 3  17.8527      1.09199     714.1     -31.607      1082.86   -31.607      218.746   -31.607      
1 1 1 51  1  8  f 0  6.42355      0.812646    443.499   -38.4867     232.632   -38.4867     83.7822   141.513      
1 1 1 51  1  9  o 12 29.803       1.71104     1480.47   -46.1196     1562.31   -46.1196     109.878   -46.1196     
1 1 1 51  1  10 o 13 12.1581      1.31323     727.681   -172.588     947.48    -172.588     140.682   -172.588     
1 1 1 51  1  11 o 1  7.12649      0.86825     945.698   -2.40433     46.4841   -2.40433     409.708   177.596      
1 1 1 51  1  12 o 9  3.76921      0.677262    675.823   -37.8101     199.691   -37.8101     200.961   142.19       
1 1 1 51  1  13 o 12 1.61587      0.63744     225.057   70.1211      60.1694   -109.879     124.61    -109.879     
1 1 1 51  1  14 o 4  5.03132      0.735542    487.56    167.252      713.675   167.252      162.547   167.252      
1 1 1 51  1  15 o 1  2.39603      0.62894     396.542   24.6621      ?         ?            ?         ?            
1 1 1 51  1  16 o 3  3.18018      0.665945    15.4187   56.9941      48.767    56.9941      18.5758   56.9941      
1 1 1 51  3  0  o 19 74.9254      2.73468     2376.39   8.3846       2305.67   8.3846       96.0181   8.3846       
1 1 1 51  3  1  o 14 3.76562      0.561939    566.489   -119.635     77.636    60.3648      292.396   60.3648      
1 1 1 51  3  2  f 0  3.83063      0.628251    336.287   -36.5693     200.529   143.431      251.804   143.431      
1 1 1 51  3  3  o 4  13.9894      0.829854    938.226   -111.644     646.303   -111.644     101.869   68.3559      
1 1 1 51  3  4  f 0  1.98807      0.509291    607.476   86.4779      ?         ?            ?         ?            
1 1 1 51  3  5  o 13 23.8796      1.13499     533.837   22.1581      1649.73   22.1581      582.695   22.1581      
1 1 1 51  3  6  o 4  7.36479      0.658401    783.701   129.93       297.724   129.93       205.488   -50.0704     
1 1 1 51  3  7  o 3  32.065       1.34578     629.905   -137.516     2109.67   -137.516     770.664   -137.516     
1 1 1 51  3  8  o 12 46.5252      2.53163     1215.37   60.3043      2323.09   60.3043      611.741   60.3043      
1 1 1 51  3  9  o 15 18.3575      1.13187     544.129   135.309      1634.39   135.309      568.984   135.309      
1 1 1 51  3  10 o 12 2.91668      0.669711    152.006   137.466      ?         ?            ?         ?            
1 1 1 51  3  11 f 0  14.3905      1.30232     610.17    0.771222     1376.95   0.771222     412.176   0.771222     
1 1 1 51  3  12 o 2  -0.428467    0.56405     156.165   -18.4912     ?         ?            ?         ?            
1 1 1 51  3  13 o 7  2.45325      0.692054    221.829   -92.4175     296.105   -92.4175     57.5251   -92.4175     
1 1 1 51  3  14 o 3  8.58228      0.828815    288.962   154.872      1199.32   154.872      485.974   154.872      
1 1 1 51  3  15 o 8  1.05639      0.555321    125.239   -55.9564     ?         ?            ?         ?            
1 1 1 51  5  0  o 15 18.7626      1.27519     406.008   -83.488      1131.29   -83.488      381.458   -83.488      
1 1 1 51  5  1  o 18 29.9236      1.44443     377.823   166.228      1866.34   166.228      761.611   166.228      
1 1 1 51  5  2  o 4  13.5179      0.855326    692.74    83.3278      1027.19   83.3278      199.066   83.3278      
1 1 1 51  5  3  o 13 51.858       1.93503     1527.21   -93.3367     2378.31   -93.3367     496.786   -93.3367     
1 1 1 51  5  4  o 7  46.2621      1.97743     1729.06   121.585      2083.94   121.585      260.107   121.585      
1 1 1 51  5  5  o 17 38.7865      1.59991     1668.78   41.1375      1558.91   41.1375      26.4652   41.1375      
1 1 1 51  5  6  o 5  2.40307      0.565299    617.707   165.607      ?         ?            ?         ?            
1 1 1 51  5  7  o 14 1.09145      0.610109    215.75    179.059      ?         ?            ?         ?            
1 1 1 51  5  8  o 8  7.41384      0.80597     694.221   101.908      309.544   101.908      162.855   -78.0915     
1 1 1 51  5  9  o 1  6.36976      0.748141    422.625   -115.672     660.742   -115.672     136.58    -115.672     
1 1 1 51  5  10 o 12 0.596331     0.549601    196.687   70.2551      87.3652   -109.745     132.341   -109.745     
1 1 1 51  5  11 o 3  6.13835      0.809279    525.941   -73.0222     736.157   -73.0222     141.216   -73.0222     
1 1 1 51  5  12 o 1  8.32669      0.996167    774.974   74.8299      858.194   74.8299      112.878   74.8299      
1 1 1 51  5  13 o 8  7.12643      0.797325    665.223   -111.939     855.174   -111.939     165.526   -111.939     
1 1 1 51  5  14 o 19 3.17023      0.739474    122.7     -153.426     436.838   -153.426     171.433   -153.426     
1 1 1 51  7  0  o 3  3.59799      0.573493    423.814   59.4138      100.72    59.4138      141.019   -120.586     
1 1 1 51  7  1  o 14 12.2314      0.81782     854.193   -67.2066     793.464   -67.2066     11.2961   -67.2066     
1 1 1 51  7  2  o 2  10.0913      0.921896    605.24    82.2674      891.718   82.2674      172.805   82.2674      
1 1 1 51  7  3  o 15 21.2509      1.09896     1296.84   -28.2267     1235.14   -28.2267     31.7651   -28.2267     
1 1 1 51  7  4  o 13 3.76132      0.647235    532.52    121.534      156.315   121.534      163.232   -58.4663     
1 1 1 51  7  5  o 7  1.92624      0.605201    553.773   85.2001      ?         ?            ?         ?            
1 1 1 51  7  6  o 9  26.8923      1.33606     794.566   7.98435      1885.93   7.98435      578.735   7.98435      
1 1 1 51  7  7  o 17 24.8004      1.24616     1126.92   93.702       1410.62   93.702       188.966   93.702       
1 1 1 51  7  8  o 9  18.6693      1.11898     513.627   -146.318     1728.43   -146.318     632.381   -146.318     
1 1 1 51  7  9  o 18 4.5267       0.734525    500.565   -148.532     444.124   -148.532     3.96864   -148.532     
1 1 1 51  7  10 f 0  7.19415      0.875827    210.777   -93.7878     918.035   -93.7878     371.575   -93.7878     
1 1 1 51  7  11 o 15 2.24952      0.681164    517.984   -114.05      233.72    -114.05      89.5014   65.9502      
1 1 1 51  7  12 o 8  0.554404     0.615513    136.907   48.5233      6.1972    48.5233      50.2776   -131.477     
1 1 1 51  7  13 o 10 1.40421      0.95941     321.851   -159.729     105.789   -159.729     68.1366   20.2706      
1 1 1 51  9  0  o 9  2.89696      0.654204    298.782   -111.295     158.455   -111.295     57.4253   68.7053      
1 1 1 51  9  1  f 0  1.27068      0.56181     682.545   178.257      ?         ?            ?         ?            
1 1 1 51  9  2  o 9  16.1584      1.14413     760.307   81.3112      1255.46   81.3112      278.86    81.3112      
1 1 1 51  9  3  o 15 6.27281      0.927256    428.319   -87.2119     672.32    -87.2119     139.856   -87.2119     
1 1 1 51  9  4  o 15 7.82113      0.952225    483.554   -20.2696     906.769   -20.2696     233.234   -20.2696     
1 1 1 51  9  5  o 15 1.06565      0.629437    356.457   114.545      165.512   -65.4545     242.499   -65.4545     
1 1 1 51  9  6  o 2  2.01174      0.633187    420.79    -135.162     180.602   44.8383      273.762   44.8383      
1 1 1 51  9  7  o 10 0.681105     0.570667    323.039   58.9458      ?         ?            ?         ?            
1 1 1 51  9  8  o 5  1.08788      0.593791    270.811   -66.7119     34.0296   113.288      126.631   113.288      
1 1 1 51  9  9  o 12 2.23453      0.653682    196.967   -59.3005     147.72    -59.3005     3.90137   120.7        
1 1 1 51  9  10 o 13 4.66613      1.1196      729.043   -171.733     488.194   -171.733     38.6562   8.26713      
1 1 1 51  9  11 o 1  2.04945      0.880615    401.541   -0.184852    234.012   -0.184852    33.6909   179.815      
1 1 1 51  11 0  o 17 -0.403195    0.507488    203.719   157.313      128.915   -22.6869     152.001   -22.6869     
1 1 1 51  11 1  o 1  2.52329      0.600271    175.095   168.139      221.601   168.139      36.5485   168.139      
1 1 1 51  11 2  o 14 4.17239      0.609358    357.583   -153.115     596.34    -153.115     149.112   -153.115     
1 1 1 51  11 3  o 8  6.85737      0.878075    194.94    61.5098      898.322   61.5098      369.472   61.5098      
1 1 1 51  11 4  f 0  2.306        0.566258    176.845   -110.454     288.428   -110.454     73.2714   -110.454     
1 1 1 51  11 5  o 1  0.529132     0.525123    409.32    121.625      154.261   -58.3746     238.925   -58.3746     
1 1 1 51  11 6  o 2  2.15879      0.58843     487.533   -148.589     290.1     -148.589     45.4941   31.4105      
1 1 1 51  11 7  o 6  1.49802      0.622793    334.196   -2.29773     168.032   -2.29773     44.3046   177.702      
1 1 1 51  11 8  o 7  1.25403      0.614129    193.103   -34.4083     143.579   -34.4083     0.571101  145.592      
1 1 1 51  13 0  f 0  1.54449      0.596514    846.167   -152.588     95.8679   27.4115      371.006   27.4115      
1 1 1 51  13 1  o 17 0.634284     0.52627     153.866   -48.6194     42.7724   -48.6194     36.8174   131.381      
1 1 1 51  13 2  o 1  1.50586      0.735031    314.325   147.609      204.807   147.609      15.4388   -32.3907     
1 1 1 51  13 3  o 4  1.42234      0.606882    158.118   -31.8206     198.519   -31.8206     39.292    -31.8206     
1 1 1 52  0  0  f 0  14.7542      1.22828     1445.9    -180         702.688   180          286.181   3.85592e-14  
1 1 1 52  0  1  o 17 77.9969      4.10544     1916.61   0            3122.84   0            709.619   0            
1 1 1 52  0  2  o 1  18.412       1.50689     736.92    180          1489.43   180          414.399   180          
1 1 1 52  0  3  o 4  2.41255      0.742729    501.181   0            ?         ?            ?         ?            
1 1 1 52  0  4  o 4  0.799075     0.646818    175.827   0            ?         ?            ?         ?            
1 1 1 52  0  5  o 15 30.2342      1.69106     754.72    180          1965.49   180          640.081   180          
1 1 1 52  0  6  o 18 0.791452     0.716067    189.982   0            ?         ?            ?         ?            
1 1 1 52  0  7  o 15 11.4877      1.2636      322.11    0            967.549   0            338.406   0            
1 1 1 52  0  8  o 11 1.71169      0.791667    100.936   0            27.4446   180          59.3147   180          
1 1 1 52  0  9  o 11 6.20581      2.01006     502.597   180          574.313   180          58.4672   180          
1 1 1 52  0  10 o 16 -0.246562    0.910092    700.371   0            ?         ?            ?         ?            
1 1 1 52  0  11 o 18 -0.912995    0.604647    51.5984   0            ?         ?            ?         ?            
1 1 1 52  0  12 o 16 8.02694      1.19441     578.539   180          735.531   180          114.351   180          
1 1 1 52  0  13 o 5  2.89537      0.987884    419.257   180          100.191   1.71958e-14  222.961   3.86363e-15  
1 1 1 52  0  14 o 16 1.74351      0.942975    155.258   180          ?         ?            ?         ?            
1 1 1 52  0  15 o 7  7.91954      1.11495     523.34    0            990.728   0            294.515   0            
1 1 1 52  2  0  o 5  21.5193      1.34332     1086.43   -149.482     1169.26   -149.482     101.247   -149.482     
1 1 1 52  2  1  o 17 19.8884      1.00061     536.489   152.75       1248.66   152.75       384.062   152.75       
1 1 1 52  2  2  o 7  20.2109      1.04432     637.465   -106.23      814.947   -106.23      120.094   -106.23      
1 1 1 52  2  3  o 15 3.58756      0.553468    172.6     8.69251      ?         ?            ?         ?            
1 1 1 52  2  4  o 17 30.7204      1.35963     1515.65   -108.498     1223.94   -108.498     76.3172   71.5017      
1 1 1 52  2  5  o 8  17.0259      0.928006    1091.56   -129.652     887.744   -129.652     51.2212   50.3478      
1 1 1 52  2  6  o 2  49.8535      1.91098     1285.59   -128.421     2603.33   -128.421     720.508   -128.421     
1 1 1 52  2  7  o 17 94.4377      2.90006     2489.05   74.7641      3015.42   74.7641      384.834   74.7641      
1 1 1 52  2  8  o 9  62.5204      2.70887     2041.81   -121.839     2305.82   -121.839     228.894   -121.839     
1 1 1 52  2  9  o 3  11.8497      0.926361    405.792   62.0105      1109.7    62.0105      369.638   62.0105      
1 1 1 52  2  10 o 10 27.9899      1.57748     655.2     8.91417      2121.39   8.91417      760.063   8.91417      
1 1 1 52  2  11 o 9  2.1996       0.692838    200.563   -138.113     ?         ?            ?         ?            
1 1 1 52  2  12 o 15 1.95047      0.713362    377.872   55.7199      164.071   55.7199      81.068    -124.28      
1 1 1 52  2  13 o 11 0.193014     0.524335    193.606   -114.354     ?         ?            ?         ?            
1 1 1 52  2  14 o 15 12.5029      0.930034    623.187   17.6598      1358.75   17.6598      434.513   17.6598      
1 1 1 52  2  15 o 12 2.55778      0.667691    244.183   -179.547     130.016   -179.547     27.7078   0.453445     
1 1 1 52  4  0  o 17 7.1456       0.606706    606.087   113.514      314.61    113.514      117.028   -66.4857     
1 1 1 52  4  1  o 12 43.0627      1.69653     1670.36   118.719      1622.59   118.719      53.6298   118.719      
1 1 1 52  4  2  o 5  2.81145      0.543458    844.952   64.3493      512.738   -115.651     640.075   -115.651     
1 1 1 52  4  3  o 12 5.32421      0.656313    738.346   -15.4485     202.549   -15.4485     233.833   164.551      
1 1 1 52  4  4  o 15 30.7902      1.17458     571.187   -99.0924     2171.73   -99.0924     827.216   -99.0924     
1 1 1 52  4  5  o 18 6.05719      0.636306    419.309   -76.4562     284.374   103.544      331.531   103.544      
1 1 1 52  4  6  o 6  7.21054      0.74658     83.9059   139.876      175.978   139.876      50.1313   139.876      
1 1 1 52  4  7  o 16 19.6176      1.23838     1474.03   59.0548      575.974   59.0548      379.559   -120.945     
1 1 1 52  4  8  o 6  8.92929      0.776745    609.698   -63.2499     315.864   -63.2499     120.381   116.75       
1 1 1 52  4  9  o 16 5.85388      0.737817    617.446   -134.007     184.156   -134.007     191.249   45.993       
1 1 1 52  4  10 o 4  3.79964      0.764954    427.159   22.931       32.3034   22.931       177.668   -157.069     
1 1 1 52  4  11 o 9  4.23544      0.862867    442.694   137.764      446.352   137.764      29.9759   137.764      
1 1 1 52  4  12 f 0  0.352454     0.541295    280.551   -35.2449     ?         ?            ?         ?            
1 1 1 52  4  13 o 3  1.25796      0.587957    283.202   69.5831      141.466   -110.417     182.788   -110.417     
1 1 1 52  4  14 o 19 4.7288       0.782822    185.048   150.742      730.433   150.742      293.845   150.742      
1 1 1 52  4  15 o 16 2.80086      0.725733    349.439   -37.0419     309.461   -37.0419     21.5726   -37.0419     
1 1 1 52  6  0  o 2  25.8442      1.22934     971.419   92.4785      1565.64   92.4785      342.909   92.4785      
1 1 1 52  6  1  o 11 15.7195      0.945547    687.724   158.672      1108.09   158.672      243.037   158.672      
1 1 1 52  6  2  o 8  2.68619      0.515595    734.659   -67.5338     251.438   112.466      457.445   112.466      
1 1 1 52  6  3  o 7  1.99678      0.595023    819.216   117.123      469.033   -62.8766     604.09    -62.8766     
1 1 1 52  6  4  o 4  8.95341      0.823092    987.124   -16.7488     456.459   -16.7488     217.514   163.251      
1 1 1 52  6  5  o 2  3.77064      0.670519    768.782   -174.754     362.358   5.24647      529.69    5.24647      
1 1 1 52  6  6  o 15 20.1114      1.22113     361.253   32.3377      1534.87   32.3377      602.596   32.3377      
1 1 1 52  6  7  o 14 13.3599      0.905209    657.496   -93.5048     324.215   86.4952      463.732   86.4952      
1 1 1 52  6  8  o 18 6.78762      0.738832    286.718   124.823      726.591   124.823      232.306   124.823      
1 1 1 52  6  9  f 0  1.05187      0.662538    561.81    145.192      262.729   -34.8083     382.052   -34.8083     
1 1 1 52  6  10 o 15 5.07744      0.810661    523.085   -42.1502     602.489   -42.1502     78.1527   -42.1502     
1 1 1 52  6  11 o 12 5.11345      0.845758    541.691   65.6155      680.794   65.6155      120.696   65.6155      
1 1 1 52  6  12 o 8  0.479505     0.59833     112.611   73.3279      ?         ?            ?         ?            
1 1 1 52  6  13 o 10 0.501305     0.837167    81.0949   168.83       ?         ?            ?         ?            
1 1 1 52  8  0  o 3  1.51732      0.522114    307.651   -156.275     74.8777   23.7245      176.926   23.7245      
1 1 1 52  8  1  o 4  12.0951      0.925012    495.184   120.446      1169.83   120.446      359.837   120.446      
1 1 1 52  8  2  o 11 9.11568      0.77553     786.465   -141.757     697.149   -141.757     10.1503   38.2427      
1 1 1 52  8  3  o 5  13.0653      0.964128    407.009   87.82        1288.78   87.82        458.038   87.82        
1 1 1 52  8  4  o 11 12.0437      0.971632    698.938   -37.9292     1112.43   -37.9292     235.496   -37.9292     
1 1 1 52  8  5  o 16 17.2018      1.28003     573.015   -28.431      1468.51   -28.431      472.143   -28.431      
1 1 1 52  8  6  o 1  5.94831      0.767725    890.343   147.587      311.522   147.587      245.968   -32.4126     
1 1 1 52  8  7  o 17 3.32766      0.733417    376.875   -153.48      432.423   -153.48      50.9074   -153.48      
1 1 1 52  8  8  o 19 2.89827      0.858033    158.644   28.8015      ?         ?            ?         ?            
1 1 1 52  8  9  o 18 2.76446      0.698574    385.363   -122.24      338.984   -122.24      13.739    -122.24      
1 1 1 52  8  10 o 10 2.36171      0.705306    291.04    71.056       272.508   71.056       21.6099   71.056       
1 1 1 52  8  11 o 13 0.00657598   0.612535    232.983   -23.1096     61.9865   156.89       120.862   156.89       
1 1 1 52  8  12 f 0  1.70066      0.828028    445.024   -21.784      85.0206   -21.784      124.525   158.216      
1 1 1 52  10 0  o 1  0.389723     0.497246    334.151   36.4938      175.266   -143.506     238.564   -143.506     
1 1 1 52  10 1  o 17 0.506101     0.531054    308.206   2.65865      202.637   -177.341     239.368   -177.341     
1 1 1 52  10 2  o 11 5.09583      0.679928    745.937   -128.941     477.816   -128.941     90.7563   51.0594      
1 1 1 52  10 3  o 2  5.76987      0.817894    655.901   -16.8646     617.994   -16.8646     24.7378   -16.8646     
1 1 1 52  10 4  o 4  4.31941      0.634884    336.734   140.246      511.652   140.246      113.562   140.246      
1 1 1 52  10 5  o 13 4.02927      0.66349     258.233   -95.4376     603.452   -95.4376     195.685   -95.4376     
1 1 1 52  10 6  o 18 8.2243       0.885028    655.689   71.9127      958.074   71.9127      216.504   71.9127      
1 1 1 52  10 7  o 8  1.89008      0.571097    360.219   156.776      276.511   156.776      3.54465   -23.224      
1 1 1 52  10 8  o 18 3.09823      0.678139    356.009   51.3171      535.697   51.3171      129.796   51.3171      
1 1 1 52  10 9  o 9  3.27315      0.711283    400.958   83.7392      554.109   83.7392      126.01    83.7392      
1 1 1 52  12 0  f 0  0.364651     0.501445    149.05    44.7969      27.2278   -135.203     72.4663   -135.203     
1 1 1 52  12 1  o 4  1.02595      0.576381    359.231   -175.178     50.5891   -175.178     115.892   4.82235      
1 1 1 52  12 2  o 15 0.871262     0.596065    174.261   64.8922      9.61125   64.8922      63.2956   -115.108     
1 1 1 52  12 3  o 13 1.371        0.53643     174.871   156.55       184.548   156.55       24.5293   156.55       
1 1 1 52  12 4  o 19 0.131191     0.48303     120.973   11.0178      27.7681   -168.982     60.026    -168.982     
1 1 1 52  12 5  f 0  0.0879623    0.49534     230.113   165.171      40.4835   -14.829      106.501   -14.829      
1 1 1 53  1  0  o 18 24.8955      1.46695     1664.59   -3.77571     948.509   -3.77571     269.745   176.224      
1 1 1 53  1  1  o 15 8.19043      0.777932    426.742   -156.825     343.67    -156.825     20.0049   23.1753      
1 1 1 53  1  2  o 14 33.6211      1.41135     1610.87   112.638      1264.48   112.638      95.8877   -67.3622     
1 1 1 53  1  3  o 17 15.5034      1.00706     1009.82   87.8786      908.45    87.8786      3.93415   -92.1214     
1 1 1 53  1  4  o 18 10.6977      0.780248    1041.97   -18.6789     607.191   -18.6789     169.556   161.321      
1 1 1 53  1  5  o 3  44.1977      1.82511     1137.49   -69.6082     2345.95   -69.6082     657.533   -69.6082     
1 1 1 53  1  6  o 18 2.87978      0.617001    616.129   18.6539      66.292    -161.346     311.417   -161.346     
1 1 1 53  1  7  o 17 55.143       1.90882     1321.72   -98.5779     2805.02   -98.5779     806.122   -98.5779     
1 1 1 53  1  8  f 0  47.2844      2.55406     1648.87   96.6187      2148.32   96.6187      326.679   96.6187      
1 1 1 53  1  9  o 7  2.23272      0.744542    112.12    73.8119      ?         ?            ?         ?            
1 1 1 53  1  10 o 11 3.40787      0.725       548.538   86.1165      3.37247   -93.8835     253.155   -93.8835     
1 1 1 53  1  11 o 4  4.27573      0.75858     423.694   166.959      ?         ?            ?         ?            
1 1 1 53  1  12 o 17 5.30061      0.754121    713.814   -72.3463     517.258   -72.3464     45.9206   107.654      
1 1 1 53  1  13 o 13 4.62278      0.754381    259.962   33.4637      533.007   33.4637      161.682   33.4637      
1 1 1 53  1  14 o 14 7.10704      0.831444    777.061   -105.9       643.673   -105.9       17.7018   -105.9       
1 1 1 53  1  15 o 10 2.21046      0.624633    267.396   -161.055     403.887   -161.055     101.243   -161.055     
1 1 1 53  3  0  o 6  12.5208      0.871269    770.194   163.419      746.678   163.419      25.233    163.419      
1 1 1 53  3  1  o 12 2.63733      0.490922    305.312   175.037      275.98    -4.96292     276.361   -4.96292     
1 1 1 53  3  2  o 5  20.7098      1.03307     844.086   64.9366      1158.94   64.9366      196.234   64.9366      
1 1 1 53  3  3  o 16 14.0529      0.86524     1128.38   -106.72      839.229   -106.72      92.678    73.2798      
1 1 1 53  3  4  o 6  15.9656      0.990637    267.115   -119.577     843.439   -119.577     300.693   -119.577     
1 1 1 53  3  5  o 13 60.4533      2.2629      1562.13   -130.173     2717.33   -130.173     652.974   -130.173     
1 1 1 53  3  6  o 10 39.5444      1.65492     1309.94   3.87025      2173.15   3.87025      495.611   3.87025      
1 1 1 53  3  7  o 1  45.7184      2.31747     1285.85   -102.348     2327.66   -102.348     581.941   -102.348     
1 1 1 53  3  8  o 3  8.56215      0.833253    658.971   -6.97741     625.317   -6.97741     12.1285   -6.97741     
1 1 1 53  3  9  o 19 8.03562      0.872337    808.895   -9.24854     644.808   -9.24854     48.7612   170.751      
1 1 1 53  3  10 o 13 2.02957      0.803818    210.657   -41.7371     ?         ?            ?         ?            
1 1 1 53  3  11 o 5  2.27713      0.703598    134.042   -132.575     13.6128   47.425       65.5229   47.425       
1 1 1 53  3  12 o 4  3.00083      0.656334    279.266   -52.3726     409.755   -52.3726     89.3182   -52.3726     
1 1 1 53  3  13 o 12 3.50033      0.725538    312.514   -34.1553     447.109   -34.1553     99.7148   -34.1553     
1 1 1 53  3  14 o 13 6.00673      0.761044    340.108   -120.98      902.734   -120.98      319.944   -120.98      
1 1 1 53  3  15 o 13 6.55511      0.991567    425.587   155.452      796.637   155.452      237.078   155.452      
1 1 1 53  5  0  o 12 13.2904      0.870689    1302.78   55.0825      550.599   55.0825      315.859   -124.918     
1 1 1 53  5  1  o 1  6.13535      0.659271    762.953   29.4588      75.7184   29.4588      307.936   -150.541     
1 1 1 53  5  2  o 3  1.84167      0.522495    487.839   -127.86      340.045   52.1402      390.727   52.1402      
1 1 1 53  5  3  o 6  43.8139      1.59342     1211.59   90.6552      2406.51   90.6552      656.186   90.6552      
1 1 1 53  5  4  o 5  30.4115      1.81648     1548.81   -131.164     1410.88   -131.164     6.72357   -131.164     
1 1 1 53  5  5  o 15 20.4827      1.12299     660.482   -123.37      1154.94   -123.37      278.962   -123.37      
1 1 1 53  5  6  o 7  7.19093      0.89365     848.821   -132.847     381.097   -132.847     195.179   47.1526      
1 1 1 53  5  7  o 3  2.64245      0.643754    257.542   -131.592     ?         ?            ?         ?            
1 1 1 53  5  8  o 18 8.02776      0.817228    349.974   -153.032     417.223   -153.032     48.1143   -153.032     
1 1 1 53  5  9  o 19 16.9919      1.24973     317.121   14.5562      1539.97   14.5562      626.648   14.5562      
1 1 1 53  5  10 o 7  13.0201      1.22869     733.32    135.619      1088.93   135.619      225.565   135.619      
1 1 1 53  5  11 o 3  2.03945      0.661078    276.873   141.941      112.602   -38.059      170.47    -38.059      
1 1 1 53  5  12 o 3  2.11726      0.639636    500.611   -68.7217     188.52    -68.7217     104.14    111.278      
1 1 1 53  5  13 o 2  -0.617356    0.517295    300.223   56.5012      ?         ?            ?         ?            
1 1 1 53  5  14 o 16 3.25342      0.767074    364.725   -139.714     325.08    -139.714     25.5837   -139.714     
1 1 1 53  7  0  o 3  2.37164      0.577809    264.644   -58.3988     11.2007   -58.3988     113.843   121.601      
1 1 1 53  7  1  o 15 0.708956     0.495812    162.689   -43.467      105.393   136.533      126.206   136.533      
1 1 1 53  7  2  o 18 0.85817      0.544566    248.081   178.279      148.457   -1.72111     186.591   -1.72111     
1 1 1 53  7  3  o 5  0.956244     0.565679    95.0979   13.6029      ?         ?            ?         ?            
1 1 1 53  7  4  o 11 18.1845      1.14067     717.591   -175.641     1338.23   -175.641     341.149   -175.641     
1 1 1 53  7  5  o 16 10.3369      0.934111    725.758   -147.147     760.341   -147.147     47.2172   -147.147     
1 1 1 53  7  6  o 14 7.4382       0.905935    653.265   -116.837     603.449   -116.837     2.74189   -116.837     
1 1 1 53  7  7  o 4  2.36097      0.705039    343.853   -102.218     173.625   -102.218     68.1714   77.7819      
1 1 1 53  7  8  o 11 1.02687      0.656732    452.933   119.02       194.176   -60.9804     294.646   -60.9804     
1 1 1 53  7  9  o 9  3.66073      0.704323    468.408   59.1764      486.757   59.1764      48.1587   59.1764      
1 1 1 53  7  10 o 7  3.07087      0.724287    281.517   122.81       479.68    122.81       127.158   122.81       
1 1 1 53  7  11 o 13 1.55059      0.637184    115.61    152.789      35.8003   -27.211      63.1611   -27.211      
1 1 1 53  7  12 o 7  1.74454      0.905339    495.716   -133.087     102.824   -133.087     136.898   46.9135      
1 1 1 53  9  0  o 6  3.52467      0.693665    394.425   116.992      306.339   116.992      27.7895   -63.0082     
1 1 1 53  9  1  o 19 8.01482      0.794497    484.724   -38.6772     879.269   -38.6772     217.576   -38.6772     
1 1 1 53  9  2  o 15 6.05458      0.80651     796.969   -8.52608     437.4     -8.52608     144.782   171.474      
1 1 1 53  9  3  o 9  19.9262      1.28402     1082.22   -150.677     1416.29   -150.677     219.36    -150.677     
1 1 1 53  9  4  o 7  5.14697      0.779279    248.388   -92.8356     576.353   -92.8356     177.955   -92.8356     
1 1 1 53  9  5  o 1  8.19993      0.909478    483.735   36.4176      1000.01   36.4176      291.046   36.4176      
1 1 1 53  9  6  f 0  2.4979       0.631755    277.922   -79.6446     166.733   -79.6446     32.6944   100.355      
1 1 1 53  9  7  o 19 0.112234     0.5355      81.3001   -36.9631     ?         ?            ?         ?            
1 1 1 53  9  8  o 8  -0.144279    0.537379    490.747   138.015      ?         ?            ?         ?            
1 1 1 53  9  9  o 6  3.73983      0.661174    370.699   16.1699      475.444   16.1699      93.6406   16.1699      
1 1 1 53  9  10 o 16 5.59794      1.21647     389.585   1.35436      734.426   1.35436      220.376   1.35436      
1 1 1 53  11 0  o 15 2.35699      0.678499    226.036   103.477      274.505   103.477      43.959    103.477      
1 1 1 53  11 1  o 5  0.596523     0.567071    225.917   -131.597     26.8863   48.4032      105.579   48.4032      
1 1 1 53  11 2  o 9  0.782049     0.607156    252.001   -14.062      54.4286   165.938      128.627   165.938      
1 1 1 53  11 3  o 3  3.77582      0.625236    224.141   73.8936      600.218   73.8935      211.03    73.8935      
1 1 1 53  11 4  o 15 1.317        0.562621    237.011   -97.557      8.01519   -97.557      89.2341   82.443       
1 1 1 53  11 5  f 0  1.64419      0.554099    309.683   -35.177      263.772   -35.177      11.2759   -35.177      
1 1 1 53  11 6  o 18 2.06044      0.58386     151.187   -170.175     277.02    -170.175     80.691    -170.175     
1 1 1 53  11 7  o 5  0.238288     0.591612    53.2029   -35.343      ?         ?            ?         ?            
1 1 1 53  13 0  o 19 1.22933      0.511251    250.264   66.4003      183.333   66.4003      2.21921   -113.6       
1 1 1 53  13 1  o 12 0.292036     0.602337    322.766   6.19397      40.316    -173.806     143.219   -173.806     
1 1 1 54  0  0  o 15 1.89944      0.595568    574.135   -1.86726e-14 288.654   180          402.756   180          
1 1 1 54  0  1  o 13 33.0917      2.16372     466.285   0            2337.49   0            957.995   0            
1 1 1 54  0  2  o 16 8.58115      1.0261      26.931    0            37.1744   0            6.37424   0            
1 1 1 54  0  3  o 14 79.8886      3.67927     1938.37   180          3176.17   180          707.807   180          
1 1 1 54  0  4  o 18 1.76268      0.864722    133.31    180          ?         ?            ?         ?            
1 1 1 54  0  5  o 19 6.87187      1.00615     464.909   0            545.854   0            62.6544   0            
1 1 1 54  0  6  o 7  7.46534      1.11077     199.905   0            146.361   0            17.0134   180          
1 1 1 54  0  7  o 5  8.28202      1.22875     299.923   0            734.765   0            231.868   0            
1 1 1 54  0  8  o 7  2.98477      1.61572     103.249   180          60.2712   3.92063e-15  77.1097   1.53224e-15  
1 1 1 54  0  9  o 1  1.81117      0.869529    90.6246   180          23.9377   1.73443e-14  53.5231   3.87855e-15  
1 1 1 54  0  10 o 11 5.11473      1.51828     401.046   0            518.587   0            76.1997   0            
1 1 1 54  0  11 o 8  1.58824      0.863209    136.813   180          ?         ?            ?         ?            
1 1 1 54  0  12 o 2  13.356       1.53818     736.452   180          1382.89   180          383.411   180          
1 1 1 54  0  13 o 2  20.7686      1.777       619.086   0            1712.36   0            609.579   0            
1 1 1 54  0  14 o 9  4.16147      1.00195     388.856   180          ?         ?            ?         ?            
1 1 1 54  0  15 o 4  -0.670213    0.753359    135.185   180          ?         ?            ?         ?            
1 1 1 54  2  0  o 10 36.9579      1.4829      702.847   67.1367      2136.86   67.1367      750.634   67.1367      
1 1 1 54  2  1  o 14 9.48291      0.722379    1031.18   3.03806      339.671   3.03806      297.641   -176.962     
1 1 1 54  2  2  o 5  15.28        0.950562    1170.63   -15.2914     858.984   -15.2914     102.049   164.709      
1 1 1 54  2  3  o 2  40.8967      1.73504     1490.11   159.869      1979.89   159.869      313.5     159.869      
1 1 1 54  2  4  f 0  6.31498      0.676026    498.731   92.4161      256.37    -87.5839     354.094   -87.5839     
1 1 1 54  2  5  o 15 177.753      5.04685     3074.03   87.1111      4544.79   87.1111      884.011   87.1111      
1 1 1 54  2  6  o 10 17.5353      1.01387     1045.1    -102.959     1081.01   -102.959     68.9944   -102.959     
1 1 1 54  2  7  o 8  20.7966      1.46205     626.264   -19.2771     1477.3    -19.2771     455.107   -19.2771     
1 1 1 54  2  8  o 13 25.4498      1.36184     1060.66   163.59       1620.2    163.59       326.052   163.59       
1 1 1 54  2  9  o 7  32.4833      1.68574     871.108   -162.352     2223.37   -162.352     711.957   -162.352     
1 1 1 54  2  10 o 11 3.51282      0.666474    393.848   -87.8637     ?         ?            ?         ?            
1 1 1 54  2  11 o 10 6.53162      0.820659    493.376   88.6997      798.078   88.6997      183.731   88.6997      
1 1 1 54  2  12 o 17 0.2014       0.567205    216.759   -141.056     97.8044   38.9435      138.239   38.9435      
1 1 1 54  2  13 o 17 1.00591      0.650161    72.8167   20.6525      56.6588   -159.348     57.1301   -159.348     
1 1 1 54  2  14 o 13 1.64729      0.702386    638.566   -160.431     217.428   19.5692      354.81    19.5692      
1 1 1 54  2  15 o 6  6.03886      1.00452     288.259   11.5555      808.16    11.5555      293.794   11.5555      
1 1 1 54  4  0  o 8  2.7535       0.508028    541.949   -57.1182     104.818   122.882      298.503   122.882      
1 1 1 54  4  1  o 1  51.6375      1.79211     1692.73   -69.5083     2228.52   -69.5083     346.157   -69.5083     
1 1 1 54  4  2  o 1  7.79463      0.667537    621.126   -126.848     545.537   -126.848     8.62496   53.1521      
1 1 1 54  4  3  f 0  25.6047      1.40936     686.693   -56.9206     1813.02   -56.9206     596.105   -56.9206     
1 1 1 54  4  4  o 1  5.95532      0.659991    401.208   103.636      202.353   103.636      79.8551   -76.3639     
1 1 1 54  4  5  o 2  1.56489      0.561885    644.696   96.908       358.188   -83.092      470.124   -83.092      
1 1 1 54  4  6  o 11 9.27847      0.959349    831.343   171.765      659.809   171.765      47.0034   -8.23539     
1 1 1 54  4  7  o 18 1.96467      0.60877     447.229   -133.613     ?         ?            ?         ?            
1 1 1 54  4  8  o 4  0.727313     0.633106    483.867   14.3907      364.785   -165.609     404.425   -165.609     
1 1 1 54  4  9  f 0  5.63387      0.892461    647.009   178.563      16.1113   178.563      286.074   -1.43667     
1 1 1 54  4  10 o 19 2.21178      0.730469    56.7091   -112.603     ?         ?            ?         ?            
1 1 1 54  4  11 o 5  0.257201     0.588082    539.01    41.1099      ?         ?            ?         ?            
1 1 1 54  4  12 o 13 0.985458     0.549176    394.867   111.557      ?         ?            ?         ?            
1 1 1 54  4  13 o 14 0.679883     0.585236    251.309   -25.148      ?         ?            ?         ?            
1 1 1 54  4  14 o 8  4.74875      0.957213    383.597   48.8396      670.812   48.8396      191.64    48.8396      
1 1 1 54  6  0  o 2  17.0596      0.943126    1000.24   -154.083     1077.33   -154.083     87.2994   -154.083     
1 1 1 54  6  1  f 0  2.86686      0.566429    695.861   -28.4319     ?         ?            ?         ?            
1 1 1 54  6  2  o 19 2.06353      0.562375    379.454   -46.2241     52.8699   133.776      197.722   133.776      
1 1 1 54  6  3  o 9  3.72831      0.682977    511.033   -23.9522     75.563    -23.9522     193.437   156.048      
1 1 1 54  6  4  o 14 5.16194      0.822889    419.978   71.9145      330.923   71.9145      25.4184   -108.085     
1 1 1 54  6  5  o 11 7.24381      0.892949    386.431   -61.0024     35.5669   -61.0024     158.88    118.998      
1 1 1 54  6  6  o 6  -0.0038649   0.497811    117.771   -67.5612     98.4766   112.439      103.279   112.439      
1 1 1 54  6  7  o 1  4.60901      0.747483    290.747   116.695      327.595   116.695      31.0865   116.695      
1 1 1 54  6  8  o 5  20.7387      1.30693     873.825   0.0639691    1492.89   0.0639691    356.357   0.0639691    
1 1 1 54  6  9  o 19 -0.459579    0.657393    254.882   -23.0984     204.501   156.902      211.417   156.902      
1 1 1 54  6  10 o 6  4.10723      0.756991    239.02    163.94       604.275   163.94       204.583   163.94       
1 1 1 54  6  11 o 17 11.8981      0.967239    521.106   -136.016     1377.8    -136.016     483.038   -136.016     
1 1 1 54  6  12 o 1  2.19191      0.811648    373.744   66.417       236.247   66.417       26.3197   -113.583     
1 1 1 54  6  13 o 8  2.20745      0.72204     227.856   -120.951     277.654   -120.951     53.2546   -120.951     
1 1 1 54  8  0  o 16 8.42675      0.804941    476.476   72.7467      797.652   72.7467      181.049   72.7467      
1 1 1 54  8  1  o 13 3.53003      0.675599    119.497   -16.9171     37.5618   -16.9171     35.9568   163.083      
1 1 1 54  8  2  o 19 6.7372       0.7839      320.801   127.762      16.7118   127.762      138.832   -52.2379     
1 1 1 54  8  3  o 18 13.5343      0.952025    664.818   -91.0988     1269.92   -91.0988     330.19    -91.0988     
1 1 1 54  8  4  o 11 9.11946      1.22695     576.883   24.5936      939.037   24.5936      206.753   24.5936      
1 1 1 54  8  5  o 1  7.06347      0.82988     550.593   101.644      687.187   101.644      96.7517   101.644      
1 1 1 54  8  6  o 1  11.7814      1.02617     565.05    -22.0325     1152.38   -22.0325     329.852   -22.0325     
1 1 1 54  8  7  o 14 8.96944      0.859163    567.165   -87.4728     960.011   -87.4728     241.91    -87.4728     
1 1 1 54  8  8  o 17 3.12627      0.900293    218.061   78.8121      380.196   78.8121      101.925   78.8121      
1 1 1 54  8  9  o 15 2.10619      0.68388     244.668   72.221       251.917   72.221       29.4378   72.221       
1 1 1 54  8  10 o 2  2.59273      0.814008    419.973   135.13       375.429   135.13       25.0431   135.13       
1 1 1 54  8  11 o 1  1.73158      0.886257    174.487   -127.068     222.125   -127.068     45.6477   -127.068     
1 1 1 54  10 0  o 8  0.613123     0.695767    176.711   -70.0134     41.7259   109.987      98.223    109.987      
1 1 1 54  10 1  o 17 0.784943     0.538063    465.007   79.4124      154.973   -100.588     278.399   -100.588     
1 1 1 54  10 2  o 1  1.21076      0.639197    472.325   111.889      35.137    -68.1107     218.026   -68.1107     
1 1 1 54  10 3  o 14 0.705862     0.557892    184.535   -57.0823     41.7078   122.918      97.4878   122.918      
1 1 1 54  10 4  o 13 0.863469     0.540011    405.951   -44.5956     155.436   135.404      242.504   135.404      
1 1 1 54  10 5  o 13 1.48063      0.579869    487.329   55.2671      66.1158   55.2671      160.96    -124.733     
1 1 1 54  10 6  o 1  1.54046      0.653323    225.364   -74.0513     162.596   -74.0513     7.22454   105.949      
1 1 1 54  10 7  o 15 -0.0613205   0.53599     171.533   122.457      ?         ?            ?         ?            
1 1 1 54  10 8  o 5  0.186216     0.703417    225.634   -161.501     2.93685   -161.501     83.5614   18.499       
1 1 1 54  12 0  o 13 0.850857     0.509504    102.252   -159.779     41.1855   -159.779     19.2085   20.2209      
1 1 1 54  12 1  o 11 0.657319     0.603751    167.455   92.6617      44.0505   92.6617      42.7433   -87.3383     
1 1 1 54  12 2  o 5  0.510384     0.566472    237.168   -9.37242     6.6422    170.628      94.0655   170.628      
1 1 1 54  12 3  o 10 0.431016     0.578361    186.191   -150.396     2.20737   29.6038      71.2759   29.6038      
1 1 1 54  12 4  o 19 2.45574      0.666057    448.123   -37.4827     383.35    -37.4827     23.1466   -37.4827     
1 1 1 55  1  0  o 10 11.7008      0.774371    1011.38   -162.099     588.665   -162.099     163.878   17.9012      
1 1 1 55  1  1  o 19 9.78294      0.798782    1349.56   -10.0521     258.865   -10.0521     483.068   169.948      
1 1 1 55  1  2  o 16 7.30543      0.811039    766.743   -162.934     559.757   17.0656      628.079   17.0656      
1 1 1 55  1  3  o 13 32.6044      1.40576     1305.66   -21.1214     1394.37   -21.1214     104.9     -21.1214     
1 1 1 55  1  4  o 7  5.35852      0.696856    541.368   -153.626     35.0023   26.3741      262.452   26.3741      
1 1 1 55  1  5  o 15 3.99836      0.648158    344.105   0.705654     109.943   0.705654     100.332   -179.294     
1 1 1 55  1  6  o 11 8.16048      0.830303    1000.83   116.313      442.263   116.313      230.626   -63.6871     
1 1 1 55  1  7  o 15 2.1786       0.941406    546.426   155.001      125.238   -24.9986     310.487   -24.9986     
1 1 1 55  1  8  o 17 22.6332      1.49937     565.603   -20.1062     1692.44   -20.1062     587.548   -20.1062     
1 1 1 55  1  9  o 12 4.96925      0.787485    257.825   -36.3472     401.823   -36.3472     82.6684   -36.3472     
1 1 1 55  1  10 o 10 7.18543      0.811331    696.417   -170.009     504.267   -170.009     61.927    9.99107      
1 1 1 55  1  11 o 12 3.69231      0.789326    484.797   37.2684      381.502   37.2684      18.3434   -142.732     
1 1 1 55  1  12 o 5  3.73863      0.784115    227.559   141.562      53.5252   141.562      66.0148   -38.4377     
1 1 1 55  1  13 o 19 2.23721      0.670282    401.001   139.142      ?         ?            ?         ?            
1 1 1 55  1  14 o 7  12.4351      1.01889     1068.56   38.0475      1013.52   38.0475      98.3358   38.0475      
1 1 1 55  3  0  o 2  8.9079       0.797371    926.872   -81.2629     429.532   -81.2629     206.157   98.7371      
1 1 1 55  3  1  o 1  12.3863      0.912816    577.645   -27.4498     842.932   -27.4498     159.258   -27.4498     
1 1 1 55  3  2  o 15 13.0847      0.930213    996.859   -175.719     712.537   -175.719     95.5803   4.28096      
1 1 1 55  3  3  o 9  7.48326      0.726603    499.497   109.067      187.563   -70.9329     319.677   -70.9329     
1 1 1 55  3  4  o 5  27.0246      1.31238     1397.85   55.68        1470.38   55.68        104.328   55.68        
1 1 1 55  3  5  o 2  21.209       1.20009     783.177   -33.3025     1471.45   -33.3025     382.277   -33.3025     
1 1 1 55  3  6  o 11 25.6001      1.46777     1127.75   120.938      1532.34   120.938      255.257   120.938      
1 1 1 55  3  7  o 7  1.34621      0.667722    227.843   58.5681      ?         ?            ?         ?            
1 1 1 55  3  8  o 14 3.63196      0.874437    616.865   178.687      99.4142   178.687      233.344   -1.31306     
1 1 1 55  3  9  o 14 7.81018      0.954778    89.0794   -165.335     134.685   -165.335     26.7864   -165.335     
1 1 1 55  3  10 o 10 6.83914      0.819742    709.526   -172.34      504.276   -172.34      60.6707   7.66011      
1 1 1 55  3  11 o 14 5.1815       0.764702    726.717   -164.373     505.554   -164.373     51.0977   15.6265      
1 1 1 55  3  12 o 19 0.88272      0.623322    14.6663   81.4342      4.12326   -98.5658     7.91469   -98.5658     
1 1 1 55  3  13 o 4  16.0532      1.21045     555.827   174.44       1591.91   174.44       579.392   174.44       
1 1 1 55  3  14 o 8  1.5988       0.746715    348.183   15.5808      143.83    15.5808      58.6573   -164.419     
1 1 1 55  5  0  o 7  32.9561      1.35285     1163.41   -129.186     1793.37   -129.186     370.918   -129.186     
1 1 1 55  5  1  o 3  13.427       0.979656    1089.75   -121.494     771.697   -121.494     106.091   58.506       
1 1 1 55  5  2  f 0  21.275       1.1451      1071.34   92.2772      1385.88   92.2772      209.626   92.2772      
1 1 1 55  5  3  o 3  2.28985      0.576748    593.377   -89.361      ?         ?            ?         ?            
1 1 1 55  5  4  o 5  27.921       1.40234     1149.38   -23.9346     1662.09   -23.9346     310.554   -23.9346     
1 1 1 55  5  5  o 9  9.6288       0.922247    576.763   58.1883      910.714   58.1883      192.696   58.1883      
1 1 1 55  5  6  o 11 4.781        0.772594    664.806   133.309      164.825   133.309      222.183   -46.6912     
1 1 1 55  5  7  o 4  5.80802      0.837201    640.418   29.3406      144.771   -150.659     365.961   -150.659     
1 1 1 55  5  8  o 16 2.40147      0.847663    421.936   -149.129     139.586   -149.129     120.924   30.8708      
1 1 1 55  5  9  o 2  5.44424      0.909706    616.298   -53.7962     156.939   -53.7962     190.463   126.204      
1 1 1 55  5  10 o 7  7.51013      0.812905    632.983   -43.2093     867.659   -43.2093     171.038   -43.2093     
1 1 1 55  5  11 o 8  2.39184      0.623277    85.2257   90.658       103.063   90.658       17.5803   90.658       
1 1 1 55  5  12 o 11 4.08468      0.679181    155.467   179.552      438.258   179.552      158.539   179.552      
1 1 1 55  5  13 o 9  3.53414      0.935769    274.792   168.269      443.951   168.269      118.736   168.269      
1 1 1 55  7  0  o 4  8.35496      0.815899    969.686   -49.769      482.51    -49.769      198.796   130.231      
1 1 1 55  7  1  o 2  3.85186      0.652223    673.558   163.972      203.372   163.972      204.818   -16.0276     
1 1 1 55  7  2  o 14 8.54624      0.905594    451.591   -124.434     776.13    -124.434     181.83    -124.434     
1 1 1 55  7  3  o 8  3.73185      0.733088    714.957   139.896      40.2022   -40.1037     347.759   -40.1037     
1 1 1 55  7  4  o 12 21.6595      1.50445     1065.44   -71.5108     1422.56   -71.5108     222.445   -71.5108     
1 1 1 55  7  5  o 11 5.67952      0.766809    657.231   73.0586      339.566   73.0586      130.152   -106.941     
1 1 1 55  7  6  o 6  7.37017      1.1538      1053.43   26.736       101.878   -153.264     523.603   -153.264     
1 1 1 55  7  7  o 5  4.17294      0.753513    343.986   17.1969      500.159   17.1969      100.545   17.1969      
1 1 1 55  7  8  o 7  10.7266      1.01645     462.724   -95.19       1078      -95.19       346.142   -95.19       
1 1 1 55  7  9  o 17 5.53311      0.788671    389.894   -164.104     542.513   -164.104     114.845   -164.104     
1 1 1 55  7  10 o 19 9.11683      0.954901    338.825   -60.4696     1236.05   -60.4696     485.064   -60.4696     
1 1 1 55  7  11 o 6  2.88125      0.890056    479.594   100.355      280.872   100.355      43.1424   -79.6451     
1 1 1 55  7  12 o 4  0.286298     0.572873    219.136   -172.106     85.715    7.89366      126.473   7.89366      
1 1 1 55  9  0  o 6  1.34314      0.721595    380.019   -114.988     32.4823   65.0116      188.798   65.0116      
1 1 1 55  9  1  o 13 0.68492      0.587876    79.3006   165.773      34.6965   -14.2266     53.092    -14.2266     
1 1 1 55  9  2  o 7  3.26724      0.652366    363.226   168.115      327.237   168.115      1.91197   168.115      
1 1 1 55  9  3  o 19 0.438358     0.572675    245.31    134.646      178.505   -45.3544     196.422   -45.3544     
1 1 1 55  9  4  o 15 8.26835      0.81386     519.8     131.755      998.962   131.755      278.141   131.755      
1 1 1 55  9  5  o 4  16.7865      1.18036     1074.27   -83.3402     1301.59   -83.3402     206.779   -83.3402     
1 1 1 55  9  6  o 17 5.04945      0.726223    522.173   106.803      652.57    106.803      116.353   106.803      
1 1 1 55  9  7  o 3  4.75789      0.755428    292.191   -3.33369     698.167   -3.33369     233.829   -3.33369     
1 1 1 55  9  8  o 7  2.1993       0.662319    570.617   -59.2064     235.535   -59.2064     104.021   120.794      
1 1 1 55  9  9  o 6  1.7013       0.766135    226.765   127.433      213.438   127.433      21.05     127.433      
1 1 1 55  11 0  o 3  0.103092     0.510945    208.065   -54.9834     76.1955   125.017      121.25    125.017      
1 1 1 55  11 1  o 18 1.05484      0.741532    220.989   -26.5576     53.5914   -26.5576     60.8881   153.442      
1 1 1 55  11 2  o 3  2.54975      0.661381    201.777   109.567      374.698   109.567      107.857   109.567      
1 1 1 55  11 3  o 17 -0.174127    0.541584    153.999   101.969      69.1983   -78.0314     94.8313   -78.0314     
1 1 1 55  11 4  o 6  1.5893       0.620114    130.951   82.1438      149.903   82.1438      24.2795   82.1438      
1 1 1 55  11 5  o 17 4.9826       0.746962    327.993   -150.904     824.316   -150.904     287.671   -150.904     
1 1 1 55  11 6  f 0  2.28337      0.701987    473.116   -10.8971     293.422   -10.8971     30.9454   169.103      
1 1 1 56  0  0  o 11 9.05576      1.22475     402.673   -180         506.581   180          70.4867   180          
1 1 1 56  0  1  o 4  24.8859      1.77747     1603.74   180          1314.55   180          71.0282   1.36878e-13  
1 1 1 56  0  2  o 18 98.34        4.41911     2148.69   0            3245.88   0            647.946   0            
1 1 1 56  0  3  o 2  1.32177      0.716071    56.0673   0            ?         ?            ?         ?            
1 1 1 56  0  4  o 14 30.8033      1.65322     640.844   180          1940.81   180          680.954   180          
1 1 1 56  0  5  o 18 23.3588      1.89196     971.7     180          1775.32   180          449.297   180          
1 1 1 56  0  6  o 10 9.09188      1.91383     290.216   0            772.857   0            255.179   0            
1 1 1 56  0  7  < 1  -5.35712     0.629905    120.942   0            ?         ?            ?         ?            
1 1 1 56  0  8  f 0  15.7886      1.7209      859.411   0            1206.46   0            209.146   0            
1 1 1 56  0  9  o 12 0.544424     0.764731    136.134   180          ?         ?            ?         ?            
1 1 1 56  0  10 o 16 40.574       3.54802     682.822   0            2873.16   0            1132.86   0            
1 1 1 56  0  11 o 13 1.75035      1.07498     104.677   180          ?         ?            ?         ?            
1 1 1 56  0  12 o 2  1.56631      1.10447     434.937   180          ?         ?            ?         ?            
1 1 1 56  0  13 o 10 5.65337      1.07971     166.942   0            903.561   0            386.499   0            
1 1 1 56  0  14 o 19 0.24979      0.798298    191.464   180          ?         ?            ?         ?            
1 1 1 56  2  0  o 3  1.55206      0.504313    147.887   -82.4401     68.9618   97.5599      101.639   97.5599      
1 1 1 56  2  1  o 11 39.1605      1.49832     2174.49   153.704      1293.36   153.704      340.218   -26.2961     
1 1 1 56  2  2  o 1  3.12576      0.60335     621.857   -58.6236     27.5644   121.376      295.573   121.376      
1 1 1 56  2  3  f 0  12.0205      0.935518    666.219   103.112      922.148   103.112      159.871   103.112      
1 1 1 56  2  4  o 10 18.608       1.26065     247.481   83.8578      1132.8    83.8578      454.727   83.8578      
1 1 1 56  2  5  o 4  49.8076      2.12967     2171.38   -100.363     1869.36   -100.363     45.4617   79.6371      
1 1 1 56  2  6  o 18 8.6525       1.27196     947.918   40.6226      524.702   40.6226      167.366   -139.377     
1 1 1 56  2  7  o 2  10.2731      1.17712     534.376   -130.337     958.776   -130.337     235.325   -130.337     
1 1 1 56  2  8  o 17 19.9202      1.34717     1152.14   -33.2162     1306.23   -33.2162     124.43    -33.2162     
1 1 1 56  2  9  o 15 4.97631      0.708253    281.897   149.228      202.016   149.228      27.1007   -30.7723     
1 1 1 56  2  10 f 0  37.9548      1.67221     835.959   41.1978      2577.44   41.1978      921.673   41.1978      
1 1 1 56  2  11 o 11 5.11634      0.728855    299.367   59.427       453.433   59.427       102.131   59.427       
1 1 1 56  2  12 o 13 1.373        0.752463    209.103   57.4969      ?         ?            ?         ?            
1 1 1 56  2  13 o 16 4.82189      0.783038    214.673   43.2355      408.041   43.2355      120.558   43.2355      
1 1 1 56  2  14 o 11 1.80895      0.763477    241.346   -164.941     228.737   -164.941     23.9391   -164.941     
1 1 1 56  4  0  o 4  2.60234      0.581275    883.68    -112.065     235.739   67.935       517.733   67.935       
1 1 1 56  4  1  o 7  38.6693      1.61909     1143.75   129.619      2242.94   129.619      604.646   129.619      
1 1 1 56  4  2  f 0  10.1711      0.775753    588.822   -27.1375     823.112   -27.1375     145.828   -27.1375     
1 1 1 56  4  3  f 0  11.7039      0.983641    597.211   127.361      814.371   127.361      137.74    127.361      
1 1 1 56  4  4  o 5  2.83419      0.723093    215.547   158.008      46.0794   158.008      74.4031   -21.9923     
1 1 1 56  4  5  o 10 2.21244      0.753548    503.353   77.6714      ?         ?            ?         ?            
1 1 1 56  4  6  o 14 16.8843      1.03958     687.627   -21.4296     1278.92   -21.4296     324.958   -21.4296     
1 1 1 56  4  7  o 10 5.17251      0.853168    815.148   -103.105     253.154   76.8951      500.596   76.8951      
1 1 1 56  4  8  o 19 2.62623      0.73313     588.366   86.2139      106.06    86.2139      214.38    -93.7861     
1 1 1 56  4  9  f 0  2.45016      0.698362    730.77    71.0676      ?         ?            ?         ?            
1 1 1 56  4  10 o 6  4.19287      0.752519    473.541   -65.437      510.999   -65.437      56.8153   -65.437      
1 1 1 56  4  11 f 0  1.84645      0.666181    784.037   -45.4851     6.73817   134.515      317.594   134.515      
1 1 1 56  4  12 f 0  1.79296      0.643456    264.442   123.473      110.912   -56.5275     158.896   -56.5275     
1 1 1 56  4  13 o 19 7.12016      1.09459     238.802   -116.794     910.838   -116.794     365.164   -116.794     
1 1 1 56  6  0  o 17 2.8234       0.668498    603.22    159.484      19.5311   159.484      262.806   -20.5165     
1 1 1 56  6  1  o 7  7.09887      0.814645    896.072   44.0524      285.883   44.0524      262.72    -135.948     
1 1 1 56  6  2  o 16 9.2974       0.984833    967.221   -113.95      432.542   -113.95      223.004   66.0499      
1 1 1 56  6  3  o 4  3.89998      0.764029    228.284   58.8131      68.7535   58.8131      69.7633   -121.187     
1 1 1 56  6  4  o 8  20.6401      1.3444      699.262   100.7        1663.69   100.7        511.435   100.7        
1 1 1 56  6  5  o 19 2.72139      0.655565    315.637   -17.5674     200.795   -17.5674     44.3962   162.433      
1 1 1 56  6  6  o 5  1.53084      0.652517    305.137   163.265      26.1673   -16.7351     151.984   -16.7351     
1 1 1 56  6  7  o 13 5.36808      0.908261    355.689   68.1725      528.763   68.1725      106.09    68.1725      
1 1 1 56  6  8  o 12 7.51982      0.928855    476.811   -143.643     926.576   -143.643     259.176   -143.643     
1 1 1 56  6  9  o 5  0.741273     0.62783     81.8309   62.8188      39.4265   -117.181     53.1994   -117.181     
1 1 1 56  6  10 o 7  2.10735      0.639947    198.924   12.4501      198.245   12.4501      20.3256   12.4501      
1 1 1 56  6  11 o 6  4.74096      0.77485     335.54    -16.0671     661.747   -16.0671     200.543   -16.0671     
1 1 1 56  6  12 o 6  2.61928      0.891545    331.66    94.0344      258.502   94.0344      4.86101   94.0344      
1 1 1 56  8  0  o 2  9.99509      0.818855    555.328   77.1381      950.614   77.1381      220.51    77.1381      
1 1 1 56  8  1  o 18 11.0779      1.02663     765.27    -84.0374     606.244   -84.0374     47.5079   95.9626      
1 1 1 56  8  2  o 8  6.55725      0.765222    655.708   56.4396      622.89    56.4396      12.3696   56.4396      
1 1 1 56  8  3  o 12 2.04279      0.655121    518.164   158.971      35.9803   158.971      215.977   -21.0288     
1 1 1 56  8  4  o 4  3.25807      0.777094    463.106   -58.843      374.859   -58.843      17.8871   121.157      
1 1 1 56  8  5  o 15 1.16691      0.603705    220.399   -88.6045     30.0019   -88.6045     80.0395   91.3955      
1 1 1 56  8  6  f 0  5.17241      0.800988    576.914   174.04       409.301   174.04       35.6999   -5.95988     
1 1 1 56  8  7  o 15 0.687468     0.655262    265.055   -178.758     6.97615   1.24218      110.346   1.24218      
1 1 1 56  8  8  o 15 1.86775      0.85416     342.684   131.93       204.47    131.93       32.9277   -48.0697     
1 1 1 56  8  9  o 1  2.75051      0.803291    490.277   -43.4699     324.812   -43.4699     27.7778   136.53       
1 1 1 56  8  10 o 4  13.0086      1.30836     260.612   4.84407      1547.04   4.84407      675.568   4.84407      
1 1 1 56  10 0  o 10 3.91603      0.768805    457.932   124.412      482.03    124.412      48.895    124.412      
1 1 1 56  10 1  o 5  1.55995      0.745388    237.533   175.336      104.224   175.336      46.173    -4.66425     
1 1 1 56  10 2  o 14 2.45901      0.743258    355.132   -94.4882     348.14    -94.4882     29.4743   -94.4882     
1 1 1 56  10 3  o 17 3.84843      0.750548    412.645   53.4851      579.28    53.4851      124.295   53.4851      
1 1 1 56  10 4  o 12 3.45932      0.745978    380.948   157.699      548.491   157.699      123.6     157.699      
1 1 1 56  10 5  o 3  2.07204      0.685248    441.79    33.7498      280.205   33.7498      32.7985   -146.25      
1 1 1 56  10 6  o 7  2.48092      0.788669    613.792   -83.5916     81.7478   -83.5916     195.808   96.4084      
1 1 1 56  10 7  o 13 0.272123     0.687529    119.931   -56.324      ?         ?            ?         ?            
1 1 1 56  12 0  o 9  1.92622      0.712375    125.226   -82.4067     237.266   -82.4067     71.1051   -82.4067     
1 1 1 56  12 1  o 4  0.75615      0.540175    167.566   159.373      83.5661   159.373      21.2319   -20.6274     
1 1 1 56  12 2  o 11 0.995889     0.540033    487.664   -162.646     34.6569   17.3539      200.287   17.3539      
1 1 1 57  1  0  o 1  30.777       1.28326     926.078   79.4689      1813.32   79.4689      486.267   79.4689      
1 1 1 57  1  1  o 19 9.11112      0.761013    523.425   -9.86627     632.826   -9.86627     79.0569   -9.86627     
1 1 1 57  1  2  o 17 13.9114      0.955912    815.669   110.205      959.912   110.205      110.761   110.205      
1 1 1 57  1  3  o 13 2.55354      0.579183    651.226   126.51       295.302   -53.4895     441.781   -53.4895     
1 1 1 57  1  4  o 16 1.3188       0.566838    413.417   -85.6898     ?         ?            ?         ?            
1 1 1 57  1  5  o 18 1.64803      0.847085    308.014   170.689      ?         ?            ?         ?            
1 1 1 57  1  6  o 11 4.69147      1.26638     500.97    -118.644     270.719   -118.644     92.2455   61.3561      
1 1 1 57  1  7  o 4  2.9937       0.725496    482.293   33.0077      ?         ?            ?         ?            
1 1 1 57  1  8  o 17 64.4635      2.4004      1300.37   152.107      3061.38   152.107      934.381   152.107      
1 1 1 57  1  9  o 18 2.74356      0.738167    356.215   -47.1161     242.948   -47.1161     39.3993   132.884      
1 1 1 57  1  10 o 6  38.7068      1.93417     693.69    -96.3815     2621.17   -96.3815     1009.61   -96.3815     
1 1 1 57  1  11 o 5  0.964585     0.732156    134.862   107          13.9337   -73.0002     62.414    -73.0002     
1 1 1 57  1  12 o 4  0.636067     0.65693     209.987   -54.4329     107.814   125.567      136.984   125.567      
1 1 1 57  1  13 o 9  2.1833       0.708864    197.046   163.617      288.389   163.617      68.0803   163.617      
1 1 1 57  1  14 o 3  1.42663      0.758825    381.309   -127.764     26.337    52.2364      157.124   52.2364      
1 1 1 57  3  0  o 12 73.0096      2.3909      2061      115.497      2520.71   115.497      327.282   115.497      
1 1 1 57  3  1  o 14 2.7038       0.562711    614.81    -142.758     108.176   37.2422      332.02    37.2422      
1 1 1 57  3  2  o 4  4.59611      0.655031    415.85    165.878      156.952   165.878      109.236   -14.1221     
1 1 1 57  3  3  o 9  6.94067      0.772347    474.035   -91.2489     386.328   -91.2489     20.69     88.7511      
1 1 1 57  3  4  o 5  50.4966      2.26383     1548.03   -162.848     2414.23   -162.848     507.619   -162.848     
1 1 1 57  3  5  o 18 28.6923      2.12396     1118.33   32.6565      1667.83   32.6565      326.196   32.6565      
1 1 1 57  3  6  o 18 6.0795       1.13247     999.94    -100.792     142.638   -100.792     385.74    79.2082      
1 1 1 57  3  7  o 4  3.46103      0.758615    77.9223   -127.385     32.1285   -127.385     19.6919   52.6146      
1 1 1 57  3  8  o 6  1.65155      0.632744    275.876   -52.4952     108.662   127.505      179.878   127.505      
1 1 1 57  3  9  o 15 0.717499     0.617006    357.622   0.762035     133.228   -179.238     224.617   -179.238     
1 1 1 57  3  10 o 15 0.456551     0.615886    390.399   32.1453      ?         ?            ?         ?            
1 1 1 57  3  11 o 15 -0.0988181   0.604854    178.291   27.7594      91.5735   -152.241     117.352   -152.241     
1 1 1 57  3  12 o 15 3.02596      0.750675    278.427   9.16914      146.124   9.16914      35.9288   -170.831     
1 1 1 57  3  13 o 1  1.85336      0.924512    145.665   38.1766      ?         ?            ?         ?            
1 1 1 57  5  0  o 14 67.2797      2.25907     1842.78   69.9579      2552.71   69.9579      444.89    69.9579      
1 1 1 57  5  1  o 2  7.25119      0.786152    415.517   -123.902     602.534   -123.902     113.618   -123.902     
1 1 1 57  5  2  o 11 12.4587      1.03539     1000.68   -21.6515     715.15    -21.6515     95.337    158.348      
1 1 1 57  5  3  o 10 22.5975      1.47872     427.094   -125.095     1693.73   -125.095     652.795   -125.095     
1 1 1 57  5  4  o 5  11.9935      1.1283      1223.52   -176.955     676.174   -176.955     220.807   3.04523      
1 1 1 57  5  5  o 5  18.1704      1.18117     874.617   -90.1844     1400.69   -90.1844     299.148   -90.1844     
1 1 1 57  5  6  o 2  4.3593       0.742779    507.395   26.0097      ?         ?            ?         ?            
1 1 1 57  5  7  o 18 2.58849      0.711372    378.257   130.131      67.7961   130.131      136.618   -49.869      
1 1 1 57  5  8  o 5  2.68004      0.701829    394.411   -103.45      329.826   -103.45      7.01917   76.5496      
1 1 1 57  5  9  o 2  3.75958      0.711439    317.233   92.8479      467.214   92.8479      101.585   92.8479      
1 1 1 57  5  10 o 2  23.7762      1.27044     750.093   98.3459      1977.67   98.3459      689.014   98.3459      
1 1 1 57  5  11 o 11 2.82456      0.672787    426.728   153.408      43.8194   153.408      144.974   -26.5918     
1 1 1 57  5  12 o 5  9.21873      1.22001     477.565   -40.9118     1158.06   -40.9118     398.145   -40.9118     
1 1 1 57  7  0  o 1  1.8045       0.581498    188.023   136.445      16.5716   136.445      77.7593   -43.5551     
1 1 1 57  7  1  o 10 3.32778      0.677969    639.832   121.437      145.119   -58.5632     365.921   -58.5632     
1 1 1 57  7  2  o 7  4.3353       0.730497    561.643   63.0247      415.873   63.0247      49.7793   -116.975     
1 1 1 57  7  3  o 16 2.0675       0.763886    467.072   6.05777      54.3359   -173.942     240.95    -173.942     
1 1 1 57  7  4  o 5  2.31426      0.621384    183.677   15.5825      151.693   15.5825      7.45942   -164.417     
1 1 1 57  7  5  o 4  4.99939      0.845802    536.2     -143.789     358.166   -143.789     59.4439   36.211       
1 1 1 57  7  6  o 6  1.24224      0.845129    196.65    -159.809     ?         ?            ?         ?            
1 1 1 57  7  7  o 3  3.43742      0.806417    617.2     -165.834     264.361   -165.834     123.902   14.1659      
1 1 1 57  7  8  o 18 0.907403     0.594182    541.596   26.1934      138.251   -153.807     286.246   -153.807     
1 1 1 57  7  9  o 5  8.34506      0.830526    370.075   74.6376      1148.39   74.6376      428.856   74.6376      
1 1 1 57  7  10 o 18 1.99234      0.72513     143.561   163.167      127.065   163.167      8.36009   163.167      
1 1 1 57  7  11 o 6  6.08426      0.905927    542.166   -41.6114     837.362   -41.6114     214.736   -41.6114     
1 1 1 57  9  0  o 9  2.82288      0.933753    372.314   -116.283     273.278   -116.283     27.5228   63.7165      
1 1 1 57  9  1  o 17 3.31244      0.828002    307.406   -54.7836     422.647   -54.7836     77.5522   -54.7836     
1 1 1 57  9  2  o 17 0.63073      0.700339    160.609   72.0369      ?         ?            ?         ?            
1 1 1 57  9  3  o 14 5.61679      0.847368    584.195   1.36212      561.72    1.36212      36.8173   1.36212      
1 1 1 57  9  4  o 2  0.603262     0.59563     363.987   146.207      117.692   -33.7933     207.244   -33.7933     
1 1 1 57  9  5  o 12 1.67185      0.806896    200.795   139.152      120.731   139.152      19.7796   -40.8476     
1 1 1 57  9  6  o 9  1.96441      0.704032    249.391   9.26062      279.779   9.26062      41.798    9.26062      
1 1 1 57  9  7  o 16 0.357606     0.601817    197.227   -42.0562     ?         ?            ?         ?            
1 1 1 57  9  8  o 14 0.033447     0.678521    132.287   171.126      69.3083   -8.87375     84.5946   -8.87375     
1 1 1 57  11 0  o 16 0.613132     0.642916    231.365   -169.508     9.16147   -169.508     86.2137   10.492       
1 1 1 57  11 1  o 17 6.30106      0.726949    722.021   -72.8752     725.556   -72.8752     80.7841   -72.8752     
1 1 1 57  11 2  o 9  2.71205      0.628775    211.821   -37.0035     486.085   -37.0035     160.936   -37.0035     
1 1 1 57  11 3  o 3  0.708523     0.5114      290.554   -162.121     13.2382   -162.121     104.524   17.8793      
1 1 1 57  11 4  o 16 1.68597      0.603444    329.979   -63.5844     239.801   -63.5844     4.11428   116.416      
1 1 1 57  11 5  o 19 0.47746      0.578168    261.336   123.953      70.0001   -56.047      134.663   -56.047      
1 1 1 58  0  0  o 12 6.0076       0.975767    506       1.03094e-13  343.98    -1.37484e-13 57.3739   -180         
1 1 1 58  0  1  o 17 28.6294      1.87603     589.625   0            2344.1    0            905.182   0            
1 1 1 58  0  2  o 12 21.9639      1.57243     844.642   180          1813.93   180          525.368   180          
1 1 1 58  0  3  o 10 33.398       2.10329     1118.24   0            2038.84   0            514.897   0            
1 1 1 58  0  4  o 5  3.44462      1.10065     742.651   0            214.142   180          442.311   180          
1 1 1 58  0  5  o 6  5.70648      1.80235     125.277   0            176.763   0            31.6191   0            
1 1 1 58  0  6  o 14 28.1336      2.03708     723.897   0            2085.83   0            712.712   0            
1 1 1 58  0  7  o 12 29.8114      2.00119     1137.17   180          1911.47   180          434.075   180          
1 1 1 58  0  8  o 14 25.305       1.72763     946.202   0            1909.85   0            522.763   0            
1 1 1 58  0  9  o 17 1.55985      0.909654    765.67    180          257.646   1.1561e-14   469.9     3.16945e-15  
1 1 1 58  0  10 o 10 4.92184      1.49396     402.653   180          500.028   180          78.9012   180          
1 1 1 58  0  11 o 18 3.73383      1.0087      262.417   0            557.607   0            172.76    0            
1 1 1 58  0  12 o 3  9.00183      1.61927     430.921   0            1253.7    0            457.645   0            
1 1 1 58  0  13 o 16 0.225319     0.849046    497.057   0            ?         ?            ?         ?            
1 1 1 58  2  0  o 17 45.0374      1.73132     1628.2    -72.3615     1924.51   -72.3615     225.377   -72.3615     
1 1 1 58  2  1  o 6  18.3122      1.07023     1151.06   25.9006      1136.4    25.9006      48.0209   25.9006      
1 1 1 58  2  2  o 1  3.35955      0.660578    790.639   113.17       157.222   -66.8304     435.43    -66.8304     
1 1 1 58  2  3  o 10 15.4355      1.0237      1009.2    -53.8046     800.061   -53.8046     55.2901   126.195      
1 1 1 58  2  4  o 18 2.68428      0.943824    335.622   19.7967      6.25367   -160.203     154.855   -160.203     
1 1 1 58  2  5  o 10 4.2883       1.06412     591.78    95.5634      140.853   95.5634      198.466   -84.4366     
1 1 1 58  2  6  f 0  8.81144      1.05386     205.657   145.948      644.197   145.948      228.021   145.948      
1 1 1 58  2  7  o 12 14.8391      1.10338     822.299   45.7908      1161.9    45.7908      203.671   45.7908      
1 1 1 58  2  8  o 7  9.97016      1.0268      539.149   88.5789      764.742   88.5788      137.533   88.5788      
1 1 1 58  2  9  o 10 7.28525      0.926112    392.902   -165.476     886.272   -165.476     270.325   -165.476     
1 1 1 58  2  10 o 19 12.5952      0.921348    221.692   114.273      1455.11   114.273      634.794   114.273      
1 1 1 58  2  11 o 6  7.41136      0.901553    891.039   -116.496     703.541   -116.496     4.65128   63.5043      
1 1 1 58  2  12 o 13 2.25419      0.796597    170.255   -92.9545     2.17701   -92.9545     65.4265   87.0455      
1 1 1 58  2  13 o 7  2.19778      0.76818     37.0778   -177.361     40.5641   -177.361     6.30534   -177.361     
1 1 1 58  4  0  o 1  2.16021      0.62728     141.842   -94.6829     9.51882   85.3171      68.7485   85.3171      
1 1 1 58  4  1  o 17 1.87566      0.561926    386.084   93.4829      ?         ?            ?         ?            
1 1 1 58  4  2  o 2  12.6702      1.12413     1084.22   -104.544     677.667   -104.544     151.132   75.4557      
1 1 1 58  4  3  o 7  17.9739      1.76338     499.701   142.749      1483.69   142.749      515.272   142.749      
1 1 1 58  4  4  o 17 21.2044      1.52914     1022.71   -36.0167     1244.7    -36.0168     156.208   -36.0168     
1 1 1 58  4  5  o 15 1.47533      0.732608    457.997   -133.883     154.051   46.1171      286.888   46.1171      
1 1 1 58  4  6  o 1  2.32051      0.741503    233.276   -131.285     146.445   -131.285     33.7466   48.7147      
1 1 1 58  4  7  o 13 0.688997     0.570748    217.278   34.5478      ?         ?            ?         ?            
1 1 1 58  4  8  o 16 2.01775      0.659983    326.28    -167.563     126.156   12.4365      206.67    12.4365      
1 1 1 58  4  9  o 6  9.29533      0.905793    1014.7    -71.7564     729.735   -71.7564     61.6973   108.244      
1 1 1 58  4  10 o 18 1.28477      0.640239    299.469   98.1067      ?         ?            ?         ?            
1 1 1 58  4  11 o 15 3.04605      0.722195    283.572   176.526      472.264   176.526      124.88    176.526      
1 1 1 58  4  12 o 14 6.27669      1.19423     163.657   -158.178     896.043   -158.178     385.611   -158.178     
1 1 1 58  6  0  o 18 3.01837      0.693708    443.08    34.3301      144.563   34.3301      129.435   -145.67      
1 1 1 58  6  1  o 8  3.61272      0.839585    340.892   169.612      160.415   169.612      75.439    -10.3883     
1 1 1 58  6  2  o 19 0.668343     0.652471    485.04    174.327      ?         ?            ?         ?            
1 1 1 58  6  3  o 10 14.189       1.27155     1127.9    97.6951      889.229   97.6951      72.9428   -82.3049     
1 1 1 58  6  4  o 16 6.76336      1.09703     668.452   -88.5631     572.347   -88.5631     19.7936   91.4369      
1 1 1 58  6  5  o 1  1.54682      0.684849    158.797   -118.406     95.391    61.5935      119.57    61.5935      
1 1 1 58  6  6  o 15 11.8969      1.08498     639.319   -105.826     1097.61   -105.826     266.318   -105.826     
1 1 1 58  6  7  o 19 12.2286      0.99086     491.199   10.2727      1351.71   10.2727      466.694   10.2727      
1 1 1 58  6  8  o 11 5.62922      0.772479    209.155   73.7503      689.322   73.7503      259.193   73.7503      
1 1 1 58  6  9  o 9  1.54707      0.661241    135.519   -138.028     0.140445  -138.028     53.6563   41.9724      
1 1 1 58  6  10 o 6  2.63593      0.787209    378.735   -149.302     335.469   -149.302     20.2833   -149.302     
1 1 1 58  6  11 o 17 2.13811      0.882944    200.174   145.154      9.76549   -34.8459     80.2799   -34.8459     
1 1 1 58  8  0  o 16 5.57021      0.910952    252.972   -42.9646     585.334   -42.9646     177.843   -42.9646     
1 1 1 58  8  1  o 1  8.80304      1.20219     526.448   163.698      834.766   163.698      180.309   163.698      
1 1 1 58  8  2  o 4  0.395698     0.656314    399.875   -89.4642     ?         ?            ?         ?            
1 1 1 58  8  3  o 17 2.80986      0.708693    180.591   153.183      289.834   153.183      66.2288   153.183      
1 1 1 58  8  4  o 5  8.77541      1.09858     457.601   132.017      1031.84   132.017      321.746   132.017      
1 1 1 58  8  5  o 18 2.64352      0.759041    64.3141   31.9381      131.928   31.9381      39.4828   31.9381      
1 1 1 58  8  6  o 15 1.47523      0.700115    367.497   73.8985      126.072   -106.102     210.331   -106.102     
1 1 1 58  8  7  o 7  1.104        0.63505     141.835   -62.2609     77.7648   -62.2609     16.958    117.739      
1 1 1 58  8  8  o 7  6.37032      1.24156     447.22    -107.418     868.798   -107.418     261.054   -107.418     
1 1 1 58  8  9  o 7  1.86013      0.748932    261.743   142.258      146.842   142.258      25.0545   -37.7424     
1 1 1 58  10 0  o 17 -0.534507    0.590125    265.568   -136.718     136.938   43.2817      175.599   43.2817      
1 1 1 58  10 1  o 16 1.61869      0.613958    412.646   176.557      142.535   176.557      93.634    -3.44308     
1 1 1 58  10 2  o 6  2.06773      0.660923    486.349   -22.3456     209.893   -22.3456     87.6236   157.654      
1 1 1 58  10 3  o 4  0.931717     0.577477    232.19    -82.6119     2.67578   -82.6119     89.8487   97.3881      
1 1 1 58  10 4  o 13 0.757648     0.549028    258.957   -27.7811     16.1687   -27.7811     92.6734   152.219      
1 1 1 58  10 5  o 12 2.70819      0.661904    266.271   168.825      503.62    168.825      149.94    168.825      
1 1 1 58  10 6  o 4  -0.0368515   0.660407    301.545   133.194      ?         ?            ?         ?            
1 1 1 58  12 0  o 6  2.1813       0.655602    214.048   -130.298     365.24    -130.298     101.22    -130.298     
1 1 1 59  1  0  o 4  24.7816      1.27982     1508.87   144.852      1117.44   144.852      123.372   -35.1481     
1 1 1 59  1  1  o 4  15.5204      1.20316     1127.86   -169.589     939.79    -169.589     39.3273   10.4107      
1 1 1 59  1  2  o 19 30.2621      1.45636     1506.2    -47.5316     1497.56   -47.5316     69.2805   -47.5316     
1 1 1 59  1  3  o 11 1.0409       0.753912    230.497   -128.014     ?         ?            ?         ?            
1 1 1 59  1  4  o 11 4.87         1.42862     615.928   97.8945      267.311   97.8945      145.275   -82.1055     
1 1 1 59  1  5  f 0  4.0125       0.835386    758.919   -126.795     131.887   -126.795     279.752   53.205       
1 1 1 59  1  6  f 0  14.175       1.00955     666.822   109.656      1220.66   109.656      304.735   109.656      
1 1 1 59  1  7  o 3  28.9399      1.3986      664.93    -64.2688     1996.58   -64.2689     693.602   -64.2689     
1 1 1 59  1  8  o 5  2.97815      0.746032    331.748   -6.79313     ?         ?            ?         ?            
1 1 1 59  1  9  o 17 10.4706      1.06499     600.046   29.4359      1020.91   29.4359      249.759   29.4359      
1 1 1 59  1  10 o 12 1.55434      0.771872    220.468   28.4821      130.079   -151.518     156.096   -151.518     
1 1 1 59  1  11 o 10 5.08689      0.843007    228.549   36.504       313.494   36.504       65.9871   36.504       
1 1 1 59  1  12 o 19 3.23984      0.765228    161.906   126.34       468.005   126.34       171.089   126.34       
1 1 1 59  1  13 o 12 0.183128     0.68371     354.527   54.4943      ?         ?            ?         ?            
1 1 1 59  3  0  o 9  3.05062      0.637793    832.355   -47.0873     91.6718   132.913      421.361   132.913      
1 1 1 59  3  1  o 1  11.4248      0.982695    833.444   -11.9435     696.953   -11.9435     27.5574   168.056      
1 1 1 59  3  2  o 2  13.701       1.0271      764.279   77.5346      923.342   77.5346      116.42    77.5346      
1 1 1 59  3  3  f 0  13.1659      1.53219     232.392   11.4707      456.207   11.4707      122.795   11.4707      
1 1 1 59  3  4  o 8  3.15361      0.958639    1043.56   5.13928      153.02    -174.861     551.846   -174.861     
1 1 1 59  3  5  o 13 25.6883      1.45166     1036.46   167.98       1734.24   167.98       392.383   167.98       
1 1 1 59  3  6  f 0  6.39725      0.906211    664.848   128.009      609.273   128.009      0.311214  -51.9908     
1 1 1 59  3  7  f 0  1.4229       0.723447    500.447   -98.0165     257.308   81.9835      355.832   81.9835      
1 1 1 59  3  8  o 18 0.308666     0.627386    410.89    19.9494      ?         ?            ?         ?            
1 1 1 59  3  9  o 11 15.2663      1.07637     714.566   152.531      1453.3    152.531      425.621   152.531      
1 1 1 59  3  10 o 19 2.63879      0.723553    785.197   -125.617     75.2864   54.3831      353.864   54.3831      
1 1 1 59  3  11 o 12 1.05154      0.674641    282.086   77.9801      52.0338   -102.02      136.746   -102.02      
1 1 1 59  3  12 o 11 0.67663      0.744559    485.211   166.38       ?         ?            ?         ?            
1 1 1 59  5  0  o 9  10.0132      0.893366    954.474   -105.47      636.74    -105.47      114.522   74.5304      
1 1 1 59  5  1  o 10 1.37684      0.758805    464.792   117.074      ?         ?            ?         ?            
1 1 1 59  5  2  o 14 9.65495      1.47124     481.81    98.2254      954.899   98.2254      257.476   98.2254      
1 1 1 59  5  3  o 16 17.5826      1.34059     943.348   -55.6751     1305.06   -55.6751     220.236   -55.6751     
1 1 1 59  5  4  o 6  28.4946      1.60005     1343.53   84.9389      1627.91   84.9389      197.537   84.9389      
1 1 1 59  5  5  o 7  11.0407      1.03226     370.816   65.6935      1045.31   65.6935      353.493   65.6935      
1 1 1 59  5  6  o 10 12.3521      1.05965     641.337   19.9625      1227.95   19.9625      326.605   19.9625      
1 1 1 59  5  7  o 8  0.731579     0.605202    273.924   6.5507       ?         ?            ?         ?            
1 1 1 59  5  8  f 0  0.180526     0.570498    331.582   -38.3906     ?         ?            ?         ?            
1 1 1 59  5  9  o 12 2.21227      0.694107    272.466   36.4539      256.457   36.4539      19.2334   36.4539      
1 1 1 59  5  10 o 8  3.4579       0.696488    255.408   -78.2312     101.416   -78.2312     49.34     101.769      
1 1 1 59  5  11 o 11 1.5978       0.817947    486.715   -72.2599     78.4876   -72.2599     146.236   107.74       
1 1 1 59  7  0  o 18 0.558898     0.656972    287.122   -165.957     135.554   14.043       199.413   14.043       
1 1 1 59  7  1  o 3  16.0426      1.28716     1114.44   -5.75734     989.683   -5.75734     14.66     174.243      
1 1 1 59  7  2  o 9  3.0036       0.853403    385.568   0.531312     42.5728   -179.469     196.384   -179.469     
1 1 1 59  7  3  o 5  8.38144      1.06964     710.248   -102.792     770.135   -102.792     66.7072   -102.792     
1 1 1 59  7  4  o 11 17.301       1.29415     847.754   67.5034      1445.04   67.5034      350.64    67.5034      
1 1 1 59  7  5  o 1  6.33173      0.845829    557.467   -177.144     745.294   -177.144     135.372   -177.144     
1 1 1 59  7  6  o 14 2.88659      0.846665    607.72    -9.80591     184.282   -9.80591     157.812   170.194      
1 1 1 59  7  7  o 2  6.82342      0.833897    477.533   19.0129      838.166   19.0129      228.306   19.0129      
1 1 1 59  7  8  o 19 6.04045      0.786567    313.451   155.863      880.524   155.863      317.249   155.863      
1 1 1 59  7  9  o 4  5.1728       0.822602    454.338   -91.8621     703.276   -91.8621     176.881   -91.8621     
1 1 1 59  7  10 o 5  4.95808      0.873699    298.85    13.9865      788.391   13.9865      282.116   13.9865      
1 1 1 59  9  0  f 0  0.413495     0.650227    226.209   58.7897      63.3103   -121.21      127.102   -121.21      
1 1 1 59  9  1  o 2  1.10874      0.646242    32.2329   -164.626     11.0214   -164.626     7.8906    15.3742      
1 1 1 59  9  2  o 11 0.89249      0.581439    212.087   172.736      41.382    -7.26399     107.36    -7.26399     
1 1 1 59  9  3  o 4  2.89122      0.673262    346.439   -64.2938     386.426   -64.2938     54.0682   -64.2938     
1 1 1 59  9  4  o 13 0.424607     0.577341    181.872   -18.2914     49.8201   161.709      96.9212   161.709      
1 1 1 59  9  5  f 0  4.9561       0.825832    127.025   95.1203      658.739   95.1203      279.617   95.1203      
1 1 1 59  9  6  o 14 2.10424      0.708859    404.025   -138.412     309.983   -138.412     0.959096  41.5877      
1 1 1 59  9  7  o 7  -0.187063    0.658613    468.257   99.4155      ?         ?            ?         ?            
1 1 1 59  11 0  o 3  -0.363745    0.542543    485.534   63.6595      213.143   -116.34      293.506   -116.34      
1 1 1 59  11 1  o 12 4.73561      0.726402    513.155   79.026       671.461   79.026       140.103   79.026       
1 1 1 59  11 2  o 12 2.05651      0.619111    183.587   159.727      347.558   159.727      104.681   159.727      
1 1 1 59  11 3  o 13 1.44822      0.579169    504.874   61.1512      35.3916   61.1512      172.078   -118.849     
1 1 1 60  0  0  o 4  0.159441     0.699587    266.038   1.16331e-13  213.595   -180         226.878   -180         
1 1 1 60  0  1  o 14 83.9602      3.74779     2051.46   0            3225.2    0            687.12    0            
1 1 1 60  0  2  o 3  54.3341      3.45111     1441.77   180          2788.67   180          743.603   180          
1 1 1 60  0  3  o 6  12.9164      2.25934     712.823   180          1250.11   180          302.577   180          
1 1 1 60  0  4  o 6  2.66984      1.24621     258.629   180          ?         ?            ?         ?            
1 1 1 60  0  5  o 15 3.08775      1.05004     266.199   0            91.2452   0            76.1112   180          
1 1 1 60  0  6  o 4  -0.885993    0.807079    380.921   180          ?         ?            ?         ?            
1 1 1 60  0  7  o 10 1.39143      0.973346    108.494   180          ?         ?            ?         ?            
1 1 1 60  0  8  o 8  3.52437      1.1505      491.412   180          41.5504   180          197.659   8.49171e-15  
1 1 1 60  0  9  o 6  3.41972      1.13333     45.4569   0            49.8377   0            5.58545   0            
1 1 1 60  0  10 o 4  10.4793      1.69436     300.032   0            1298.7    0            527.705   0            
1 1 1 60  0  11 o 19 5.25869      1.09675     159.409   0            792.009   0            333.246   0            
1 1 1 60  0  12 o 4  0.141832     1.18364     174.1     0            22.2613   180          77.9862   180          
1 1 1 60  0  13 o 4  2.09693      1.22366     331.23    180          165.903   180          43.5106   3.3771e-14   
1 1 1 60  2  0  o 3  1.30217      0.588859    452.133   166.942      202.354   -13.0583     305.149   -13.0583     
1 1 1 60  2  1  o 17 15.1097      1.06126     799.692   172.628      1187.91   172.628      233.093   172.628      
1 1 1 60  2  2  o 2  4.2607       1.26615     594.741   -128.85      150.63    51.15        344.108   51.15        
1 1 1 60  2  3  o 8  5.00715      1.35234     706.642   24.5782      290.911   24.5782      175.021   -155.422     
1 1 1 60  2  4  o 13 30.6567      1.52823     1312.37   -97.1528     1720.06   -97.1528     261.661   -97.1528     
1 1 1 60  2  5  o 18 27.4248      1.36967     584.065   6.78699      2124.07   6.78699      794.338   6.78699      
1 1 1 60  2  6  o 3  25.8611      1.44728     744.108   -141.712     1985.04   -141.712     651.411   -141.712     
1 1 1 60  2  7  o 19 3.86599      0.771874    459.015   -138.695     267.644   -138.695     73.9826   41.3054      
1 1 1 60  2  8  o 5  8.24817      1.12885     414.141   -103.564     456.104   -103.563     46.3514   -103.563     
1 1 1 60  2  9  o 3  15.1847      1.12982     407.402   -17.6852     1618.59   -17.6852     638.688   -17.6852     
1 1 1 60  2  10 o 18 8.41698      0.889458    336.588   127.238      1049.92   127.238      389.96    127.238      
1 1 1 60  2  11 o 1  3.05402      0.708055    534       95.5707      389.292   95.5707      14.5349   -84.4293     
1 1 1 60  2  12 o 12 3.26427      0.991537    139.194   -20.6415     263.233   -20.6415     78.7302   -20.6415     
1 1 1 60  4  0  o 17 -0.406988    0.675418    300.519   -66.5676     225.55    113.432      248.813   113.432      
1 1 1 60  4  1  o 8  5.91361      1.10826     292.979   -57.6502     115.617   -57.6502     75.16     122.35       
1 1 1 60  4  2  o 10 34.3302      2.31971     955.571   84.7936      2177.54   84.7936      653.445   84.7936      
1 1 1 60  4  3  o 16 2.90126      0.77387     321.391   125.721      ?         ?            ?         ?            
1 1 1 60  4  4  o 18 4.36196      0.825805    552.669   -162.529     228.422   -162.529     139.378   17.4713      
1 1 1 60  4  5  f 0  11.901       1.01914     848.361   -20.6087     973.832   -20.6087     98.7792   -20.6087     
1 1 1 60  4  6  o 1  0.999394     0.701001    580.606   -103.481     285.269   76.5187      404.473   76.5187      
1 1 1 60  4  7  o 18 3.13055      0.809072    201.562   39.421       113.034   39.421       31.6806   -140.579     
1 1 1 60  4  8  o 14 5.28094      0.764393    266.558   125.335      579.62    125.335      178.064   125.335      
1 1 1 60  4  9  o 8  1.29618      0.64658     118.698   -11.9328     ?         ?            ?         ?            
1 1 1 60  4  10 o 3  2.18373      0.696695    304.002   74.9718      321.856   74.9718      41.4914   74.9718      
1 1 1 60  4  11 o 12 1.709        1.04556     350.422   169.95       167.375   169.95       50.6823   -10.0496     
1 1 1 60  4  12 o 19 0.183443     0.634492    219.863   -86.6277     ?         ?            ?         ?            
1 1 1 60  6  0  o 4  15.2798      1.1228      757.922   -48.2527     1203.46   -48.2527     254.101   -48.2527     
1 1 1 60  6  1  o 1  1.85463      0.795415    128.39    -25.3828     ?         ?            ?         ?            
1 1 1 60  6  2  o 17 3.40483      1.05215     440.168   -62.8254     123.119   -62.8254     140.013   117.175      
1 1 1 60  6  3  o 2  7.64492      0.893784    561.731   -83.7094     790.4     -83.7094     139.745   -83.7094     
1 1 1 60  6  4  o 6  2.71606      0.801799    291.641   -37.5491     54.5091   142.451      157.885   142.451      
1 1 1 60  6  5  o 9  5.30369      0.825366    285.639   110.214      548.193   110.214      149.404   110.214      
1 1 1 60  6  6  o 9  6.02898      0.814058    530.656   171.58       719.532   171.58       136.071   171.58       
1 1 1 60  6  7  o 14 13.3699      0.97886     354.405   -162.32      1531.95   -162.32      621.911   -162.32      
1 1 1 60  6  8  o 18 3.08713      0.705749    324.607   -2.79019     492       -2.79019     117.463   -2.79019     
1 1 1 60  6  9  f 0  2.82414      0.779004    379.761   104.22       343.018   104.22       23.6107   104.22       
1 1 1 60  6  10 o 3  5.26749      1.10856     187.587   -122.878     798.513   -122.878     328.404   -122.878     
1 1 1 60  8  0  o 15 2.69407      0.731922    408.2     -143.813     274.592   -143.813     42.1863   36.1868      
1 1 1 60  8  1  o 7  1.5118       0.659358    116.089   -33.0913     49.0016   -33.0913     25.8303   146.909      
1 1 1 60  8  2  o 9  2.64451      0.634083    660.715   172.766      68.0806   -7.23434     315.085   -7.23434     
1 1 1 60  8  3  o 3  3.30915      0.712032    439.415   1.49651      302.595   1.49651      31.344    -178.503     
1 1 1 60  8  4  o 17 -0.0428022   0.701085    292.013   -116.269     169.428   63.7307      203.213   63.7307      
1 1 1 60  8  5  o 5  8.55069      0.915387    567.012   -46.7461     1028.48   -46.7461     288.69    -46.7461     
1 1 1 60  8  6  o 11 7.35658      0.843515    266.781   -174.179     1069.57   -174.179     430.094   -174.179     
1 1 1 60  8  7  o 10 4.73077      0.843406    25.0883   10.4486      191.348   10.4486      85.9813   10.4486      
1 1 1 60  8  8  o 9  1.32372      0.921712    245.551   31.9333      83.1123   31.9333      50.6963   -148.067     
1 1 1 60  10 0  o 4  1.73247      0.667673    73.2181   -177.592     95.2858   -177.592     18.7936   -177.592     
1 1 1 60  10 1  o 16 1.02539      0.602158    268.253   1.73675      68.9423   1.73675      70.7019   -178.263     
1 1 1 60  10 2  o 12 1.60694      0.614139    241.381   124.373      238.049   124.373      25.014    124.373      
1 1 1 60  10 3  o 16 1.60912      0.581348    245.264   71.8676      165.4     71.8676      11.742    -108.132     
1 1 1 60  10 4  o 4  0.697686     0.581783    44.7527   90.5157      24.5255   90.5157      4.65345   -89.4843     
1 1 1 60  10 5  o 1  0.283659     0.658184    216.153   -30.3518     18.4367   -30.3518     72.1265   149.648      
1 1 1 61  1  0  o 15 86.9045      2.9963      2026.77   -34.0972     2977.53   -34.0972     574.286   -34.0972     
1 1 1 61  1  1  o 17 13.2807      1.6218      523.715   130.264      1199.78   130.264      363.363   130.264      
1 1 1 61  1  2  o 1  1.31612      1.07362     245.379   -49.7703     ?         ?            ?         ?            
1 1 1 61  1  3  o 11 2.58782      0.799632    412.592   154.506      46.3078   -25.4938     210.728   -25.4938     
1 1 1 61  1  4  o 6  1.49885      0.673245    381.089   -111.285     66.8108   68.7147      207.593   68.7147      
1 1 1 61  1  5  o 16 12.9807      0.99752     521.146   -49.2696     1071.21   -49.2696     296.495   -49.2696     
1 1 1 61  1  6  o 13 7.92474      0.90304     292.788   -24.2422     861.246   -24.2422     296.747   -24.2422     
1 1 1 61  1  7  o 7  11.9086      1.05628     587.31    138.974      1178.04   138.974      325.26    138.974      
1 1 1 61  1  8  o 12 -0.398352    0.6715      245.288   -90.9727     ?         ?            ?         ?            
1 1 1 61  1  9  o 10 5.77929      1.00068     714.691   -139.804     587.827   -139.804     1.332     40.1963      
1 1 1 61  1  10 o 4  5.60999      0.970425    143.667   101.031      244.115   101.031      64.899    101.031      
1 1 1 61  1  11 o 14 3.70756      0.805234    491.3     -136.303     471.008   -136.303     44.0169   -136.303     
1 1 1 61  1  12 o 17 3.65255      0.840023    299.177   120.643      452.589   120.643      113.725   120.643      
1 1 1 61  3  0  o 14 8.29045      0.931594    924.831   90.1138      497.834   90.1138      169.53    -89.8862     
1 1 1 61  3  1  o 16 11.9986      1.53372     593.409   164.798      913.29    164.798      187.479   164.798      
1 1 1 61  3  2  o 19 11.6772      1.38656     948.952   -19.0306     778.99    -19.0306     42.5667   160.969      
1 1 1 61  3  3  o 8  7.93169      0.974252    527.823   -163.461     727.803   -163.461     122.501   -163.461     
1 1 1 61  3  4  o 9  2.0923       0.65065     293.915   86.4254      54.6091   86.4254      107.545   -93.5746     
1 1 1 61  3  5  o 7  18.7772      1.19122     547.68    -137.26      1694.58   -137.26      596.596   -137.26      
1 1 1 61  3  6  o 1  15.6834      1.2502      718.519   13.2666      1413.1    13.2666      382.144   13.2666      
1 1 1 61  3  7  o 11 2.46475      0.827552    436.635   115.513      40.3683   -64.4874     211.551   -64.4874     
1 1 1 61  3  8  o 19 15.7873      1.08089     381.072   -33.2148     1668.57   -33.2148     674.287   -33.2148     
1 1 1 61  3  9  o 10 4.95296      0.791314    286.359   -6.4275      753.581   -6.4275      261.446   -6.4275      
1 1 1 61  3  10 o 18 5.17855      0.843962    617.921   32.647       627.635   32.647       70.9603   32.647       
1 1 1 61  3  11 o 9  2.23984      0.91218     366.098   -14.1653     307.301   -14.1653     13.188    -14.1653     
1 1 1 61  3  12 o 7  4.30641      0.946652    413.341   51.4479      650.922   51.4479      168.438   51.4479      
1 1 1 61  5  0  o 3  11.6091      1.15981     654.901   178.941      990.925   178.941      195.764   178.941      
1 1 1 61  5  1  o 15 11.7535      1.59428     636.162   -2.82399     817.602   -2.82399     117.1     -2.82399     
1 1 1 61  5  2  o 16 1.6693       0.797119    379.038   -81.3974     253.239   98.6026      300.537   98.6026      
1 1 1 61  5  3  o 17 12.0516      0.955087    741.006   106.165      1065.9    106.165      193.977   106.165      
1 1 1 61  5  4  o 3  -0.337164    0.568311    489.18    -99.2875     ?         ?            ?         ?            
1 1 1 61  5  5  o 14 15.0596      1.14519     704.957   132.422      1295.79   132.422      335.361   132.422      
1 1 1 61  5  6  o 14 2.083        0.674736    460.999   -111.234     177.57    -111.234     108.992   68.7661      
1 1 1 61  5  7  o 17 8.07943      0.856825    342.034   -172.589     1031.4    -172.589     374.585   -172.589     
1 1 1 61  5  8  o 19 1.97571      0.683501    412.834   150.664      239.184   150.664      45.2376   -29.3364     
1 1 1 61  5  9  o 4  1.00551      0.651416    246.327   -171.39      26.4645   8.61036      109.731   8.61036      
1 1 1 61  5  10 o 3  1.29661      0.887367    117.525   97.8185      67.1855   97.8185      11.3154   -82.1815     
1 1 1 61  5  11 o 13 0.345559     0.651519    142.994   35.5615      47.5483   -144.438     78.3133   -144.438     
1 1 1 61  7  0  o 11 10.3096      0.978125    1040.53   76.7128      656.258   76.7128      141.18    -103.287     
1 1 1 61  7  1  o 5  7.3512       0.80997     700.958   -145.625     552.064   -145.625     36.9275   34.3746      
1 1 1 61  7  2  o 11 1.53254      0.64711     331.995   48.2544      27.885    -131.746     159.847   -131.746     
1 1 1 61  7  3  o 4  9.07782      1.02318     849.354   159.63       757.122   159.63       13.5053   159.63       
1 1 1 61  7  4  o 18 4.88817      0.786418    555.713   -56.549      498.75    -56.549      17.0246   -56.549      
1 1 1 61  7  5  o 8  3.97131      0.737888    575.866   54.6719      478.043   54.6719      5.00107   54.6719      
1 1 1 61  7  6  o 1  8.13962      1.04587     611.133   167.221      842.715   167.221      178.548   167.221      
1 1 1 61  7  7  o 17 3.53771      0.713529    549.708   -97.613      394.586   -97.613      17.9567   82.387       
1 1 1 61  7  8  o 13 2.60448      0.788698    283.27    -155.129     410.025   -155.129     96.2855   -155.129     
1 1 1 61  7  9  o 14 -0.739049    0.579609    93.9491   91.2704      ?         ?            ?         ?            
1 1 1 61  9  0  o 15 3.58762      0.690748    129.654   32.6361      373.092   32.6361      134.116   32.6361      
1 1 1 61  9  1  o 16 1.07238      0.602448    410.274   -174.126     22.5552   -174.126     152.935   5.8738       
1 1 1 61  9  2  o 8  -0.440179    0.534924    85.9754   78.4541      ?         ?            ?         ?            
1 1 1 61  9  3  o 6  0.867501     0.578213    296.499   116.473      ?         ?            ?         ?            
1 1 1 61  9  4  o 4  2.78534      0.677609    278.826   -30.8262     489.222   -30.8262     136.09    -30.8262     
1 1 1 61  9  5  o 7  1.06181      0.739436    314.513   148.138      101.321   148.138      69.6717   -31.8625     
1 1 1 61  9  6  o 17 -0.0838798   0.705541    228.056   -30.2381     71.237    149.762      121.082   149.762      
1 1 1 61  11 0  o 18 1.26751      0.649366    168.194   -94.3881     161.343   -94.3881     17.6509   -94.3881     
1 1 1 61  11 1  o 11 2.80475      0.660028    366.647   143.182      504.724   143.182      113.723   143.182      
1 1 1 62  0  0  o 16 56.2202      4.51089     1063.24   180          2941.3    180          990.22    -180         
1 1 1 62  0  1  o 12 1.40178      1.35385     203.869   180          90.2764   7.33292e-15  137.449   2.40813e-15  
1 1 1 62  0  2  o 13 4.77217      1.2806      504.719   180          339.141   180          59.7642   4.68341e-14  
1 1 1 62  0  3  o 15 1.31972      0.872336    98.7954   0            62.1001   180          76.1523   180          
1 1 1 62  0  4  o 4  5.45859      1.05231     416.497   180          636.218   180          127.155   180          
1 1 1 62  0  5  o 8  3.57018      1.04522     566.558   0            ?         ?            ?         ?            
1 1 1 62  0  6  o 10 5.02904      1.08534     352.254   180          702.983   180          191.678   180          
1 1 1 62  0  7  o 5  10.7727      1.49061     473.177   0            1366.57   0            474.244   0            
1 1 1 62  0  8  o 19 -0.396183    0.918238    474.562   180          ?         ?            ?         ?            
1 1 1 62  0  9  f 0  7.09515      1.14786     333.34    0            1016.65   0            373.206   0            
1 1 1 62  0  10 o 5  1.04631      1.22971     437.568   180          260.682   2.26762e-15  302.805   9.76086e-16  
1 1 1 62  0  11 o 3  1.5225       0.983507    476.548   180          53.7329   180          156.899   9.41971e-15  
1 1 1 62  0  12 o 8  5.83506      1.61645     589.647   0            624.687   0            90.6293   0            
1 1 1 62  2  0  o 2  9.79526      1.84905     374.386   43.8177      803.608   43.8177      232.288   43.8177      
1 1 1 62  2  1  o 10 5.08763      1.24858     719.081   -6.10377     149.931   -6.10377     251.509   173.896      
1 1 1 62  2  2  o 10 1.75489      0.944894    306.154   102.118      18.4322   -77.8815     148.757   -77.8815     
1 1 1 62  2  3  o 15 12.472       0.960159    896.198   -176.64      839.638   -176.64      9.57761   -176.64      
1 1 1 62  2  4  o 18 1.89524      0.6613      489.022   57.1535      13.8152   57.1535      217.49    -122.847     
1 1 1 62  2  5  o 19 19.1421      1.23141     862.912   91.2845      1507.42   91.2845      359.278   91.2845      
1 1 1 62  2  6  o 13 5.6603       0.826081    380.449   -106.92      680.43    -106.92      169.074   -106.92      
1 1 1 62  2  7  o 17 14.627       1.11365     590.911   11.9056      1439.65   11.9056      462.361   11.9056      
1 1 1 62  2  8  o 1  13.28        1.2878      457.703   109.195      1242.27   109.195      430.202   109.195      
1 1 1 62  2  9  o 9  3.23807      0.817333    256.397   69.7281      426.521   69.7281      110.444   69.7281      
1 1 1 62  2  10 o 15 18.3264      1.15581     802.811   -121.108     1635.5    -121.108     502.936   -121.108     
1 1 1 62  2  11 o 12 2.132        0.842086    410.061   -59.4628     68.6504   120.537      190.888   120.537      
1 1 1 62  4  0  o 8  35.6127      2.14772     985.569   77.3911      2091.11   77.3911      595.369   77.3911      
1 1 1 62  4  1  o 10 18.2607      1.2094      1220.36   -94.9499     1033.54   -94.9499     42.1154   85.0501      
1 1 1 62  4  2  f 0  1.19337      0.662034    310.223   135.833      199.363   -44.1674     242.017   -44.1674     
1 1 1 62  4  3  o 17 15.2916      1.09664     708.433   -5.54839     1349.92   -5.54839     350.279   -5.54839     
1 1 1 62  4  4  o 15 -0.780707    0.622907    243.8     123.759      ?         ?            ?         ?            
1 1 1 62  4  5  o 17 3.37031      0.819093    611.435   -104.362     2.45494   75.6383      274.303   75.6383      
1 1 1 62  4  6  o 19 12.8941      1.07255     672.744   117.198      1267.61   117.198      342.518   117.198      
1 1 1 62  4  7  o 10 0.499948     0.620357    301.06    149.77       177.393   -30.2304     213.979   -30.2304     
1 1 1 62  4  8  o 7  2.31063      0.727839    234.879   -94.9293     147.901   -94.9293     20.3283   85.0707      
1 1 1 62  4  9  o 11 9.05597      0.95087     549.941   102.584      1064.06   102.584      315.993   102.584      
1 1 1 62  4  10 o 13 2.22267      0.967524    388.108   -161.254     241.026   -161.254     28.6223   18.7455      
1 1 1 62  4  11 o 15 4.3535       0.797634    361.132   -45.4082     636.711   -45.4082     182.346   -45.4082     
1 1 1 62  6  0  o 12 11.3136      1.12161     470.319   -148.252     1118.56   -148.252     344.634   -148.252     
1 1 1 62  6  1  o 17 3.20541      0.7287      434.473   96.2147      235.114   96.2147      79.5024   -83.7853     
1 1 1 62  6  2  o 19 -0.0306944   0.636245    314.47    129.595      ?         ?            ?         ?            
1 1 1 62  6  3  o 8  2.71657      0.6793      121.985   -154.876     201.408   -154.876     47.0002   -154.876     
1 1 1 62  6  4  o 9  6.26638      0.939103    797.087   97.6266      512.816   97.6266      85.4084   -82.3734     
1 1 1 62  6  5  o 4  10.9361      0.978734    802.526   -104.816     987.809   -104.816     160.482   -104.816     
1 1 1 62  6  6  o 16 4.69068      0.769235    535.105   54.5195      615.943   54.5195      92.2605   54.5195      
1 1 1 62  6  7  o 2  3.68115      0.74399     174.746   31.703       403.722   31.703       132.871   31.703       
1 1 1 62  6  8  o 10 1.54265      0.787992    234.863   112.509      ?         ?            ?         ?            
1 1 1 62  6  9  o 12 1.82997      0.927361    253.111   -159.903     202.477   -159.903     5.65719   -159.903     
1 1 1 62  8  0  o 14 3.55578      0.678672    357.556   -173.912     469.733   -173.912     84.8363   -173.912     
1 1 1 62  8  1  o 7  8.44244      0.862787    870.79    28.0893      793.718   28.0893      36.9421   28.0893      
1 1 1 62  8  2  o 15 0.889181     0.618588    122.757   13.5075      41.3786   -166.492     70.5717   -166.492     
1 1 1 62  8  3  o 2  4.79632      0.766703    657.631   -32.0705     515.943   -32.0705     4.94361   147.929      
1 1 1 62  8  4  o 7  4.86768      0.850416    625.164   102.546      605.556   102.546      56.0409   102.546      
1 1 1 62  8  5  o 12 5.15921      0.788733    148.19    119.025      761.859   119.025      323.06    119.025      
1 1 1 62  8  6  o 12 3.86855      0.808249    341.579   -7.41256     657.806   -7.41256     197.809   -7.41256     
1 1 1 62  8  7  o 19 1.27774      0.728781    466.382   112.451      54.7699   112.451      147.402   -67.5491     
1 1 1 62  10 0  o 1  2.38552      0.711582    589.292   -35.2767     225.952   -35.2767     115.151   144.723      
1 1 1 62  10 1  o 4  1.79906      0.647352    386.824   -33.5492     233.768   -33.5492     31.5165   146.451      
1 1 1 62  10 2  o 5  2.27787      0.64081     205.912   -60.1636     430.041   -60.1636     137.096   -60.1636     
1 1 1 62  10 3  o 13 2.26069      0.656639    105.33    167.763      175.942   167.763      48.5032   167.763      
1 1 1 63  1  0  o 17 33.5834      2.2874      863.391   169.804      2072.62   169.804      644.509   169.804      
1 1 1 63  1  1  o 11 4.45331      0.881048    341.44    25.5114      351.428   25.5114      20.2921   25.5114      
1 1 1 63  1  2  o 4  6.62257      0.826943    706.11    -102.817     591.656   -102.817     26.8392   77.1835      
1 1 1 63  1  3  o 9  4.84881      0.7405      214.525   -42.8296     292.904   -42.8296     48.0842   -42.8296     
1 1 1 63  1  4  o 16 8.20951      0.876084    496.948   136.223      909.846   136.223      227.032   136.223      
1 1 1 63  1  5  o 2  4.57127      0.808497    879.364   90.2947      117.215   90.2946      341.454   -89.7054     
1 1 1 63  1  6  o 10 4.77785      0.819815    502.652   -36.9634     542.473   -36.9634     47.3586   -36.9634     
1 1 1 63  1  7  o 6  1.21831      0.73229     116.86    109.884      23.4426   109.884      38.4837   -70.1159     
1 1 1 63  1  8  o 16 0.72765      0.719476    96.2499   134.842      2.10655   134.842      38.5454   -45.1579     
1 1 1 63  1  9  o 6  1.5733       0.816378    156.64    -41.0589     119.764   -41.0589     2.41102   138.941      
1 1 1 63  1  10 o 1  8.74637      1.01419     569.332   30.7724      1025.29   30.7724      290.519   30.7724      
1 1 1 63  1  11 o 10 0.642831     0.772023    249.655   -81.9933     47.3179   98.0067      117.958   98.0067      
1 1 1 63  3  0  o 10 11.3996      1.2347      826.738   -117.2       851.774   -117.2       48.4305   -117.2       
1 1 1 63  3  1  o 13 17.9985      1.19243     479.721   -102.057     1555.25   -102.057     558.003   -102.057     
1 1 1 63  3  2  o 10 10.9962      0.963931    750.809   -11.1815     950.139   -11.1815     130.618   -11.1815     
1 1 1 63  3  3  o 1  6.72903      0.803708    142.943   69.4691      470.496   69.4691      169.719   69.4691      
1 1 1 63  3  4  o 15 3.48872      0.715829    428.992   -101.808     ?         ?            ?         ?            
1 1 1 63  3  5  o 17 1.1338       0.685091    535.198   98.5801      303.076   -81.4199     390.81    -81.4199     
1 1 1 63  3  6  o 18 1.71262      0.769626    159.06    15.2403      ?         ?            ?         ?            
1 1 1 63  3  7  o 4  2.60507      0.793288    478.563   -36.5749     278.55    -36.5749     60.063    143.425      
1 1 1 63  3  8  o 13 3.70316      0.806568    449.74    158.449      223.633   158.449      68.7946   -21.5505     
1 1 1 63  3  9  o 9  4.22549      0.769874    296.718   -96.1557     594.581   -96.1557     180.707   -96.1557     
1 1 1 63  3  10 o 8  0.719951     0.818653    253.135   86.2056      14.2562   -93.7944     104.418   -93.7944     
1 1 1 63  3  11 o 1  6.29596      0.973557    388.936   -171.373     728.494   -171.373     217.783   -171.373     
1 1 1 63  5  0  o 8  9.10845      1.00216     215.093   -70.3784     832.603   -70.3784     317.729   -70.3784     
1 1 1 63  5  1  o 16 6.83842      0.910703    1024.23   143.743      388.664   143.743      273.421   -36.2573     
1 1 1 63  5  2  o 2  4.22032      0.943965    480.135   -37.418      375.57    -37.418      29.7622   142.582      
1 1 1 63  5  3  o 7  1.10856      0.686279    474.529   34.3567      97.2665   -145.643     260.483   -145.643     
1 1 1 63  5  4  o 14 1.94099      0.712427    134.115   -36.2615     ?         ?            ?         ?            
1 1 1 63  5  5  o 18 5.30272      0.894868    1000.31   42.1535      216.096   42.1535      314.539   -137.847     
1 1 1 63  5  6  o 15 0.936496     0.673589    232.731   -25.9522     ?         ?            ?         ?            
1 1 1 63  5  7  o 13 0.332465     0.587353    264.121   -112.683     166.361   67.3171      188.189   67.3171      
1 1 1 63  5  8  o 18 0.895081     0.617691    354.902   14.8941      74.5485   -165.106     176.103   -165.106     
1 1 1 63  5  9  f 0  0.0883709    0.900944    42.3154   -59.8906     23.6816   120.109      28.0002   120.109      
1 1 1 63  5  10 o 12 4.21051      0.81624     280.463   -81.0893     737.004   -81.0893     262.09    -81.0893     
1 1 1 63  7  0  o 16 0.851213     0.654137    214.433   111.855      24.5418   -68.1449     105.301   -68.1449     
1 1 1 63  7  1  o 10 3.76714      0.735223    377.941   -140.499     513.204   -140.499     95.1788   -140.499     
1 1 1 63  7  2  o 11 3.47463      0.764321    77.6192   -105.37      62.3475   -105.37      1.32385   74.6297      
1 1 1 63  7  3  o 8  3.5436       0.820194    438.266   77.5709      442.452   77.5709      41.7854   77.5709      
1 1 1 63  7  4  o 3  14.7825      1.07325     783.439   -110.178     1413.14   -110.178     392.441   -110.178     
1 1 1 63  7  5  o 3  6.54161      0.860009    581.793   -12.0083     833.788   -12.0083     187.224   -12.0083     
1 1 1 63  7  6  o 14 0.559576     0.672854    118.598   -44.8553     3.06135   -44.8553     44.7221   135.145      
1 1 1 63  7  7  o 19 1.10133      0.755431    144.246   51.3591      87.9307   51.3591      11.0988   -128.641     
1 1 1 63  7  8  o 16 3.34107      0.899552    167.733   -48.9289     522.838   -48.9289     198.361   -48.9289     
1 1 1 63  9  0  f 0  2.4475       0.718057    247.782   -127.294     357.399   -127.294     81.0348   -127.294     
1 1 1 63  9  1  o 11 1.42001      0.680646    384.268   -57.115      158.96    -57.115      71.1945   122.885      
1 1 1 63  9  2  o 6  1.22651      0.640063    222.596   -53.6884     105.211   -53.6884     34.0775   126.312      
1 1 1 63  9  3  o 11 1.31938      0.648143    354.221   159.905      52.1816   159.905      110.226   -20.0947     
1 1 1 63  9  4  o 1  0.930354     0.642834    299.635   -120.929     102.551   -120.929     61.8619   59.0713      
1 1 1 63  9  5  o 6  1.13697      0.716094    237.035   98.2829      85.4171   98.2829      46.7069   -81.7171     
1 1 1 64  0  0  o 10 5.65367      1.1299      321.604   -7.45189e-13 495.166   4.41086e-13  101.036   2.16172e-12  
1 1 1 64  0  1  < 9  -2.79981     0.480251    1114.36   180          ?         ?            ?         ?            
1 1 1 64  0  2  o 12 12.7055      1.3124      1025.06   0            849.92    0            44.9578   180          
1 1 1 64  0  3  f 0  1.49554      0.934042    288.618   0            ?         ?            ?         ?            
1 1 1 64  0  4  o 15 14.2481      1.4583      840.33    180          1307.55   180          270.103   180          
1 1 1 64  0  5  o 13 2.44244      1.3444      12.6971   180          ?         ?            ?         ?            
1 1 1 64  0  6  o 10 0.951789     0.976915    186.567   0            ?         ?            ?         ?            
1 1 1 64  0  7  o 19 15.4576      1.59023     454.062   0            1738.62   0            678.62    0            
1 1 1 64  0  8  o 13 0.173062     0.890372    232.366   0            ?         ?            ?         ?            
1 1 1 64  0  9  o 17 4.92781      1.16271     527.076   180          698.22    180          141.472   180          
1 1 1 64  0  10 o 14 4.04735      1.53006     387.181   0            584.421   0            142.725   0            
1 1 1 64  0  11 o 18 -2.41823     0.908904    158.837   0            ?         ?            ?         ?            
1 1 1 64  2  0  o 15 1.61372      0.647941    311.636   -10.0655     37.1305   169.935      160.994   169.935      
1 1 1 64  2  1  o 4  6.85396      0.813691    477.993   166.013      483.554   166.013      22.7692   166.013      
1 1 1 64  2  2  o 1  3.65183      0.73905     53.2687   -144.355     50.7654   -144.355     0.939492  -144.355     
1 1 1 64  2  3  o 2  4.46304      0.782002    516.967   2.29565      460.331   2.29565      6.59655   -177.704     
1 1 1 64  2  4  o 12 -0.0359606   0.627442    304.597   -82.4903     ?         ?            ?         ?            
1 1 1 64  2  5  o 3  7.2106       0.919144    721.548   -91.5344     522.179   -91.5344     59.8862   88.4656      
1 1 1 64  2  6  o 9  2.63059      0.760203    439.945   63.2605      253.268   63.2605      62.7893   -116.739     
1 1 1 64  2  7  o 7  1.20786      0.702064    66.8964   -119.131     2.89103   60.8687      29.1209   60.8687      
1 1 1 64  2  8  o 17 16.8128      1.37188     1063.82   -40.1814     1324.68   -40.1814     237.042   -40.1814     
1 1 1 64  2  9  o 3  0.25502      0.666051    43.2991   -176.285     ?         ?            ?         ?            
1 1 1 64  2  10 o 11 2.14837      0.98861     354.722   34.3279      269.932   34.3279      0.670175  -145.672     
1 1 1 64  2  11 o 3  0.760574     0.767868    389.322   85.4385      148.508   -94.5615     222.643   -94.5615     
1 1 1 64  4  0  o 16 6.28066      0.977452    730.253   -146.73      487.4     -146.73      91.3058   33.2704      
1 1 1 64  4  1  o 8  7.18405      0.817626    626.892   28.0136      593.919   28.0136      9.97686   28.0136      
1 1 1 64  4  2  o 3  6.79041      0.868819    610.138   148.817      631.664   148.817      38.2041   148.817      
1 1 1 64  4  3  o 19 18.6339      1.29672     470.114   -134.506     1778.5    -134.506     678.033   -134.506     
1 1 1 64  4  4  o 7  9.73962      1.06332     530.196   16.9508      854.97    16.9508      194.4     16.9508      
1 1 1 64  4  5  f 0  2.83421      0.718461    227.944   44.7835      294.007   44.7835      49.8523   44.7835      
1 1 1 64  4  6  o 2  1.19894      0.771322    331.734   22.4486      109.475   -157.551     191.209   -157.551     
1 1 1 64  4  7  o 8  3.35682      0.831932    330.706   95.1877      520.008   95.1877      127.948   95.1877      
1 1 1 64  4  8  o 8  0.871742     0.67593     432.657   -22.9635     ?         ?            ?         ?            
1 1 1 64  4  9  o 18 1.38325      0.935399    214.016   -103.567     42.4744   -103.567     60.9253   76.4327      
1 1 1 64  4  10 f 0  2.6318       0.801065    113.785   -174.659     329.04    -174.659     121.747   -174.659     
1 1 1 64  6  0  o 13 4.18792      0.83579     447.846   66.0786      469.111   66.0786      35.8301   66.0786      
1 1 1 64  6  1  o 1  1.79711      0.750051    251.528   8.79256      86.4934   8.79256      66.8345   -171.207     
1 1 1 64  6  2  o 4  1.8923       0.81921     134.067   -6.60749     30.2625   -6.60749     42.4199   173.393      
1 1 1 64  6  3  o 17 4.77988      0.765761    532.328   -107.597     524.603   -107.597     39.2564   -107.597     
1 1 1 64  6  4  o 3  1.6267       0.803084    73.8594   57.9152      38.945    57.9152      10.6783   -122.085     
1 1 1 64  6  5  o 8  -0.818643    0.509109    140.131   -98.7074     93.4715   81.2926      102.667   81.2926      
1 1 1 64  6  6  o 10 1.1929       0.698629    151.449   89.8289      95.0621   89.8289      12.0075   -90.1711     
1 1 1 64  6  7  o 13 -0.653163    0.67267     162.885   56.5012      ?         ?            ?         ?            
1 1 1 64  6  8  o 10 0.670129     0.888802    103.288   -98.6175     58.7207   81.3825      68.2431   81.3825      
1 1 1 64  8  0  o 5  3.06599      0.725898    87.1883   142.211      229.825   142.211      79.8509   142.211      
1 1 1 64  8  1  o 15 1.15378      0.661484    116.179   -39.0293     4.81298   140.971      48.6853   140.971      
1 1 1 64  8  2  o 1  1.70856      0.654621    302.244   -105.915     192.905   -105.915     22.8814   74.0849      
1 1 1 64  8  3  o 15 2.08836      0.685927    422.797   160.153      281.108   160.153      25.0355   -19.8474     
1 1 1 64  8  4  o 10 0.755287     0.79928     122.605   146.131      52.2755   146.131      21.357    -33.869      
1 1 1 64  8  5  o 15 0.250186     0.674408    199.334   162.534      3.9893    162.534      73.6717   -17.4664     
1 1 1 64  8  6  f 0  1.36419      0.782776    46.4661   -82.1623     64.5226   -82.1623     14.7918   -82.1623     
1 1 1 64  10 0  o 9  3.11881      0.724423    333.416   64.7508      518.989   64.7508      134.35    64.7508      
1 1 1 64  10 1  f 0  10.1006      0.957202    870.967   133.68       987.727   133.68       166.777   133.68       
1 1 1 65  1  0  f 0  5.80889      0.762908    417.885   22.4249      553.084   22.4249      85.1318   22.4249      
1 1 1 65  1  1  o 16 1.87519      0.67062     305.425   -27.8054     34.3923   152.195      157.316   152.195      
1 1 1 65  1  2  f 0  1.84696      0.69532     453.324   160.813      237.284   -19.1865     326.542   -19.1865     
1 1 1 65  1  3  o 12 8.06447      0.916546    382.081   22.8704      866.132   22.8704      258.712   22.8704      
1 1 1 65  1  4  f 0  14.1333      1.14372     864.502   -27.7129     1184.86   -27.7129     203.128   -27.7129     
1 1 1 65  1  5  o 19 13.1994      1.17099     757.651   -136.29      1234.9    -136.29      284.561   -136.29      
1 1 1 65  1  6  o 14 4.52691      0.852103    337.74    -130.702     183.778   -130.702     51.3485   49.2984      
1 1 1 65  1  7  o 5  3.48005      0.794877    588.027   -40.2174     201.053   -40.2174     139.463   139.783      
1 1 1 65  1  8  o 4  4.42787      0.886398    449.596   123.066      561.678   123.066      102.515   123.066      
1 1 1 65  1  9  o 2  -0.368812    0.722416    140.209   40.862       ?         ?            ?         ?            
1 1 1 65  1  10 o 11 11.3854      1.50645     688.304   -151.574     1138.46   -151.574     308.97    -151.574     
1 1 1 65  3  0  o 12 29.7377      1.43362     1126.19   48.8606      1732.9    48.8606      349.755   48.8606      
1 1 1 65  3  1  o 15 0.593447     0.640108    140.554   161          ?         ?            ?         ?            
1 1 1 65  3  2  o 15 5.34698      0.785716    847.995   -113.064     256.96    -113.064     257.576   66.9358      
1 1 1 65  3  3  o 8  4.52216      0.849251    311.465   128.157      141.965   128.157      69.0523   -51.8433     
1 1 1 65  3  4  o 9  2.83609      0.807211    320.629   158.602      ?         ?            ?         ?            
1 1 1 65  3  5  o 12 4.60371      0.841919    339.747   -2.79444     567.314   -2.79444     138.762   -2.79444     
1 1 1 65  3  6  o 7  0.262257     0.758041    308.867   50.5746      ?         ?            ?         ?            
1 1 1 65  3  7  o 3  0.425032     0.784332    306.835   140.179      85.7517   -39.8211     165.413   -39.8211     
1 1 1 65  3  8  o 4  1.16864      0.680113    412.721   146.123      ?         ?            ?         ?            
1 1 1 65  3  9  o 18 0.985282     0.814658    444.659   46.7934      ?         ?            ?         ?            
1 1 1 65  3  10 o 6  2.39605      0.796885    267.783   113.811      410.1     113.811      104.352   113.811      
1 1 1 65  5  0  o 1  36.041       1.59024     1218.13   -7.98936     1978.22   -7.98937     441.791   -7.98937     
1 1 1 65  5  1  o 10 8.44042      1.08478     461.874   140.128      878.958   140.128      234.373   140.128      
1 1 1 65  5  2  o 7  7.92167      1.21565     582.344   -165.575     820.36    -165.575     156.097   -165.575     
1 1 1 65  5  3  o 19 1.08282      0.690622    463.466   -58.5446     104.409   121.455      249.65    121.455      
1 1 1 65  5  4  o 8  2.46423      0.738861    71.4386   -160.778     136.075   -160.778     38.4462   -160.778     
1 1 1 65  5  5  o 15 21.366       1.40512     1288.84   -116.996     1443.1    -116.996     201.911   -116.996     
1 1 1 65  5  6  o 13 6.15559      0.866744    515.989   -164.022     696.88    -164.022     144.446   -164.022     
1 1 1 65  5  7  o 18 0.250376     0.702304    250.231   115.769      187.447   -64.2309     191.291   -64.2309     
1 1 1 65  5  8  o 9  2.23904      0.989241    242.375   176.007      270.88    176.007      43.2491   176.007      
1 1 1 65  5  9  o 1  0.444261     0.69133     339.565   75.8865      ?         ?            ?         ?            
1 1 1 65  7  0  o 3  5.96098      0.845967    629.958   -78.1062     640.792   -78.1062     60.3196   -78.1062     
1 1 1 65  7  1  o 3  1.64874      0.719527    149.537   100.599      80.2152   100.599      20.7615   -79.4005     
1 1 1 65  7  2  o 15 5.64257      0.830948    654.331   -157.763     654.658   -157.763     64.8569   -157.763     
1 1 1 65  7  3  o 4  4.72197      0.937426    475.381   -18.2206     648.387   -18.2206     135.911   -18.2206     
1 1 1 65  7  4  o 11 2.68068      0.750113    337.915   67.3296      404.837   67.3296      69.9187   67.3296      
1 1 1 65  7  5  o 13 1.56894      0.688373    382.891   -150.328     87.548    -150.328     104.503   29.672       
1 1 1 65  7  6  o 17 -0.318843    0.866199    148.317   -129.335     50.7775   50.6654      81.4966   50.6654      
1 1 1 65  7  7  o 19 0.554238     0.807479    77.2494   -131.585     37.5304   -131.585     10.6351   48.4151      
1 1 1 65  9  0  o 13 3.10545      0.726539    239.658   -164.893     508.889   -164.893     161.732   -164.893     
1 1 1 65  9  1  o 14 1.24556      0.699762    357.552   42.6391      144.803   42.6391      64.5871   -137.361     
1 1 1 65  9  2  o 1  0.504596     0.637872    229.69    71.1947      164.499   -108.805     169.016   -108.805     
1 1 1 65  9  3  f 0  -0.570423    0.561599    179.91    105.577      84.9542   -74.4233     109.936   -74.4233     
1 1 1 66  0  0  o 1  8.77308      1.28224     271.146   -3.52235e-13 917.802   9.54989e-14  334.482   2.62044e-13  
1 1 1 66  0  1  o 10 2.0851       0.977131    355.73    0            39.7406   0            143.242   180          
1 1 1 66  0  2  o 16 0.974261     0.937919    324.188   180          ?         ?            ?         ?            
1 1 1 66  0  3  o 8  3.53337      1.09755     129.48    180          113.268   180          1.87263   4.3143e-13   
1 1 1 66  0  4  o 10 18.4351      1.83771     1015.65   0            1455.71   0            277.898   0            
1 1 1 66  0  5  o 3  14.6431      1.70652     557.936   0            1539.29   0            529.788   0            
1 1 1 66  0  6  o 10 8.13412      1.35806     202.416   180          1038.4    180          435.295   180          
1 1 1 66  0  7  o 19 6.45937      1.34764     764.467   180          ?         ?            ?         ?            
1 1 1 66  0  8  o 19 -0.387341    0.966424    234.862   0            ?         ?            ?         ?            
1 1 1 66  0  9  o 1  -1.02524     0.862696    167.725   0            117.151   180          123.237   180          
1 1 1 66  0  10 o 3  4.93148      3.04309     324.521   180          374.565   180          65.6549   180          
1 1 1 66  2  0  o 7  9.90379      0.879185    880.434   -114.362     723.865   -114.362     41.8137   65.638       
1 1 1 66  2  1  o 8  17.2613      1.07008     812.247   -47.2047     1431.33   -47.2047     344.261   -47.2047     
1 1 1 66  2  2  o 1  3.38438      0.748838    381.919   71.4014      369.749   71.4015      11.5065   71.4015      
1 1 1 66  2  3  o 6  2.31528      0.813052    339.172   -156.793     191.097   23.2072      247.321   23.2072      
1 1 1 66  2  4  o 19 6.81465      0.933052    797.757   90.4417      589.944   90.4417      53.7089   -89.5583     
1 1 1 66  2  5  o 19 10.238       1.03277     581.017   27.8987      1091.12   27.8987      299.634   27.8987      
1 1 1 66  2  6  o 13 1.91643      0.76757     345.917   -152.304     39.901    27.6965      161.351   27.6965      
1 1 1 66  2  7  o 16 6.64082      0.927059    441.967   120.963      787.589   120.963      218.027   120.963      
1 1 1 66  2  8  o 5  0.674763     0.856568    345.151   107.115      109.496   -72.885      189.759   -72.885      
1 1 1 66  2  9  o 9  4.42157      1.07753     333.935   -178.253     445.837   -178.253     95.4592   -178.253     
1 1 1 66  2  10 o 9  7.14004      1.00308     503.339   -41.2611     914.803   -41.2611     265.949   -41.2611     
1 1 1 66  4  0  o 3  7.41408      1.0987      453.145   -179.927     801.649   -179.927     196.107   -179.927     
1 1 1 66  4  1  o 10 4.22132      0.775556    666.878   25.6655      338.487   25.6655      128.886   -154.335     
1 1 1 66  4  2  o 6  8.44181      0.944699    511.31    12.7807      941.9     12.7807      246.102   12.7807      
1 1 1 66  4  3  o 5  2.57165      0.744989    143.861   99.5677      75.4939   99.5677      24.0604   -80.4323     
1 1 1 66  4  4  o 7  2.48994      0.826289    442.284   -129.106     148.401   -129.106     110.453   50.8945      
1 1 1 66  4  5  o 3  1.1608       0.716056    398.562   164.711      118.017   -15.2888     220.648   -15.2888     
1 1 1 66  4  6  o 19 1.52181      0.788673    125.318   -167.117     49.4599   -167.117     24.9758   12.8831      
1 1 1 66  4  7  o 4  3.80286      0.780385    273.394   -163.176     597.516   -163.176     191.874   -163.176     
1 1 1 66  4  8  o 10 -0.0503274   0.815239    134.951   89.1272      ?         ?            ?         ?            
1 1 1 66  4  9  o 9  0.401241     0.687383    194.934   -135.829     ?         ?            ?         ?            
1 1 1 66  6  0  f 0  3.09711      0.944849    657.492   -145.236     210.482   -145.236     172.782   34.7638      
1 1 1 66  6  1  o 4  9.17381      1.02491     527.839   -37.063      1084.76   -37.063      322.794   -37.063      
1 1 1 66  6  2  o 7  14.7779      1.16066     679.522   80.6719      1450.36   80.6719      447.709   80.6719      
1 1 1 66  6  3  o 10 3.74338      0.777676    410.327   171.24       539.095   171.24       105       171.24       
1 1 1 66  6  4  o 6  11.4076      1.32621     492.691   -138.321     1303.01   -138.321     456.739   -138.321     
1 1 1 66  6  5  o 8  9.78986      0.955395    551.645   62.3772      1188.75   62.3772      378.702   62.3772      
1 1 1 66  6  6  o 12 0.840936     0.784887    323.754   -103.423     7.98467   76.5769      128.439   76.5769      
1 1 1 66  6  7  o 13 1.02627      0.752085    427.963   -135.492     16.2497   -135.492     152.314   44.5079      
1 1 1 66  8  0  o 17 4.30626      0.817183    416.147   60.3855      609.091   60.3855      141.081   60.3855      
1 1 1 66  8  1  o 15 1.05935      0.705617    183.038   135.101      41.6182   135.101      50.7037   -44.8989     
1 1 1 66  8  2  o 8  1.19456      0.70489     348.962   -7.79579     103.124   172.204      186.765   172.204      
1 1 1 66  8  3  o 1  1.37141      0.751312    372.737   55.7642      51.4448   55.7642      116.569   -124.236     
1 1 1 66  8  4  o 2  1.36758      0.786326    374.04    -81.6179     161.003   -81.6179     59.7914   98.3821      
1 1 1 67  1  0  o 9  3.85186      0.770253    458.139   -135.083     362.542   -135.083     28.3143   44.9173      
1 1 1 67  1  1  o 9  18.8302      1.27438     1022.98   142.288      1371.65   142.288      220.301   142.288      
1 1 1 67  1  2  o 5  4.71435      0.831323    363.243   127.85       594.678   127.85       133.766   127.85       
1 1 1 67  1  3  o 11 5.63452      0.925414    598.513   -118.36      142.794   -118.36      193.309   61.6403      
1 1 1 67  1  4  o 11 7.85654      0.954806    703       83.1489      695.169   83.1489      44.83     83.1489      
1 1 1 67  1  5  o 2  6.62682      0.955364    523.704   81.6756      712.703   81.6756      138.1     81.6756      
1 1 1 67  1  6  o 11 3.37151      0.835283    480.623   16.5406      435.15    16.5406      23.5402   16.5406      
1 1 1 67  1  7  o 4  3.0036       0.808576    324.024   87.6267      437.736   87.6267      90.8959   87.6267      
1 1 1 67  1  8  o 4  2.57497      0.86163     397.108   -94.4578     380.839   -94.4578     36.019    -94.4578     
1 1 1 67  1  9  o 1  5.09143      1.26028     133.129   106.042      505.26    106.042      202.396   106.042      
1 1 1 67  3  0  f 0  6.18111      0.902737    764.428   -133.465     487.29    -133.465     101.881   46.5346      
1 1 1 67  3  1  o 16 3.3128       0.791433    313.114   130.302      395.608   130.302      57.7531   130.302      
1 1 1 67  3  2  o 9  7.10144      0.928608    627.909   52.0376      755.927   52.0376      101.718   52.0376      
1 1 1 67  3  3  o 10 1.34708      0.772862    361.716   -49.2703     21.9582   130.73       166.429   130.73       
1 1 1 67  3  4  o 3  12.7606      1.04945     103.631   81.7193      1149.54   81.7193      531.5     81.7193      
1 1 1 67  3  5  o 2  2.35531      0.740096    349.095   -178.845     298.152   -178.845     7.5141    -178.845     
1 1 1 67  3  6  o 4  0.0789662    0.713331    234.544   -162.191     123.553   17.8089      154.79    17.8089      
1 1 1 67  3  7  o 16 1.00197      0.820847    342.339   -27.623      20.2337   -27.623      123.695   152.377      
1 1 1 67  3  8  o 1  -0.149866    0.837737    140.644   -156.722     47.3548   23.2778      77.4197   23.2778      
1 1 1 67  3  9  o 17 2.63106      0.819679    301.897   -127.248     409.895   -127.248     91.068    -127.248     
1 1 1 67  5  0  o 18 3.46079      0.817013    96.1868   -159.29      223.423   -159.29      70.3619   -159.29      
1 1 1 67  5  1  o 19 6.64559      1.01133     794.134   -137.049     639.203   -137.049     16.1083   42.9506      
1 1 1 67  5  2  o 17 6.54367      1.15176     654.31    5.52277      626.956   5.52277      42.4542   5.52277      
1 1 1 67  5  3  o 16 1.13273      0.734805    114.863   170.99       39.2055   170.99       26.9684   -9.01044     
1 1 1 67  5  4  o 6  12.3864      1.09922     838.764   69.7441      1171.55   69.7441      251.897   69.7441      
1 1 1 67  5  5  o 12 0.72776      0.757449    233.76    71.7857      152.441   -108.214     168.067   -108.214     
1 1 1 67  5  6  o 15 1.03605      0.820995    251.483   21.4765      34.9835   21.4765      79.9856   -158.524     
1 1 1 67  5  7  o 8  3.42872      0.970042    494.848   -4.05365     464.331   -4.05365     45.2952   -4.05365     
1 1 1 67  7  0  o 3  -0.189121    0.622813    265.409   -58.8818     103.503   121.118      157.305   121.118      
1 1 1 67  7  1  o 12 7.77546      0.943564    410.14    -4.76112     1050.65   -4.76112     363.38    -4.76112     
1 1 1 67  7  2  o 13 2.0598       0.743972    123.427   12.4405      153.726   12.4405      28.4659   12.4405      
1 1 1 67  7  3  o 1  1.08732      0.773654    122.55    -7.52504     93.2086   -7.52504     1.02228   172.475      
1 1 1 67  7  4  o 12 1.19543      0.690634    253.32    77.1682      73.1867   -102.832     133.459   -102.832     
1 1 1 67  7  5  o 18 0.599453     0.726126    100.897   -63.4742     ?         ?            ?         ?            
1 1 1 67  9  0  o 7  4.53284      0.85793     409.954   -29.8336     665.661   -29.8336     179.141   -29.8336     
1 1 1 67  9  1  o 19 1.34799      0.738498    229.637   -177.668     93.8399   -177.668     39.6397   2.33201      
1 1 1 68  0  0  o 5  23.4742      1.98329     1170.23   180          1462.11   -180         199.887   -180         
1 1 1 68  0  1  o 7  4.26465      1.31094     458.158   0            191.069   0            110.506   180          
1 1 1 68  0  2  o 19 6.00247      1.29921     524.944   0            526.725   0            30.8703   0            
1 1 1 68  0  3  o 6  5.83048      1.32777     587.313   180          755.053   180          123.223   180          
1 1 1 68  0  4  o 9  8.66537      1.32725     670.189   180          961.66    180          198.946   180          
1 1 1 68  0  5  o 12 7.22656      1.25146     300.326   0            1000.21   0            377.617   0            
1 1 1 68  0  6  o 15 5.115        1.27198     223.364   180          536.397   180          179.327   180          
1 1 1 68  0  7  o 5  4.79007      1.28423     529.987   0            187.858   0            113.692   180          
1 1 1 68  0  8  o 3  -0.620244    1.21474     353.439   180          ?         ?            ?         ?            
1 1 1 68  0  9  o 1  2.51387      2.04202     173.084   180          ?         ?            ?         ?            
1 1 1 68  2  0  o 12 13.072       1.07585     755.879   122.411      1096.47   122.411      208.002   122.411      
1 1 1 68  2  1  o 8  1.76995      0.759869    355.61    -92.1114     ?         ?            ?         ?            
1 1 1 68  2  2  o 5  1.74124      0.764098    201.701   -134.104     8.36655   45.8965      92.3125   45.8965      
1 1 1 68  2  3  o 12 9.12169      0.99107     443.172   73.2857      1037.18   73.2857      329.628   73.2857      
1 1 1 68  2  4  o 19 29.6484      1.46192     1076.01   -97.9139     2028.37   -97.9139     568.391   -97.9139     
1 1 1 68  2  5  o 14 2.78113      0.77775     363.718   -117.594     214.516   -117.594     39.3411   62.4063      
1 1 1 68  2  6  o 6  3.74837      0.824793    306.811   89.9295      398.494   89.9295      78.0024   89.9295      
1 1 1 68  2  7  o 7  0.433275     0.714294    409.616   -149.613     133.08    30.3871      226.147   30.3871      
1 1 1 68  2  8  o 16 4.70133      1.64677     378.332   -72.339      502.019   -72.339      107.353   -72.339      
1 1 1 68  2  9  o 7  -0.0222188   0.800186    101.976   -22.9692     ?         ?            ?         ?            
1 1 1 68  4  0  o 3  2.79162      0.994298    459.692   36.1423      247.941   36.1423      75.2613   -143.858     
1 1 1 68  4  1  o 16 0.412224     0.637449    368.053   163.261      ?         ?            ?         ?            
1 1 1 68  4  2  o 1  8.46221      0.951356    827.35    -132.171     780.888   -132.171     45.1485   -132.171     
1 1 1 68  4  3  o 15 0.522321     0.687011    285.491   80.2656      192.954   -99.7344     212.938   -99.7344     
1 1 1 68  4  4  o 1  5.08778      0.923434    542.211   -110.417     656.653   -110.417     111.626   -110.417     
1 1 1 68  4  5  o 3  8.34348      0.927905    688.334   65.5645      799.672   65.5645      128.738   65.5645      
1 1 1 68  4  6  o 7  0.271165     0.858439    53.0581   -56.9523     31.4925   123.048      36.3768   123.048      
1 1 1 68  4  7  o 13 1.45736      0.990508    265.919   -50.436      131.662   -50.436      35.0557   129.564      
1 1 1 68  4  8  o 15 4.47537      0.841997    499.076   -62.4972     625.881   -62.4972     122.779   -62.4972     
1 1 1 68  6  0  o 19 5.72179      0.921135    274.856   102.257      777.853   102.257      278.049   102.257      
1 1 1 68  6  1  o 18 6.71842      0.96735     248.515   82.411       855.921   82.411       328.771   82.411       
1 1 1 68  6  2  o 12 2.85987      0.844636    473.444   -48.7679     325.993   -48.7679     24.1329   131.232      
1 1 1 68  6  3  o 13 1.4499       0.678756    418.606   -5.40667     61.5299   -5.40667     133.286   174.593      
1 1 1 68  6  4  o 7  0.549822     0.801753    17.5245   -166.749     5.74262   -166.749     3.92085   13.2514      
1 1 1 68  6  5  o 14 2.31046      0.878584    251.21    -18.7519     228.93    -18.7519     19.0944   -18.7519     
1 1 1 68  6  6  o 12 0.86734      0.749443    177.761   98.3637      98.4561   98.3637      17.6408   -81.6363     
1 1 1 68  8  0  o 8  3.16077      0.744509    495.407   -127.621     426.6     -127.621     23.0473   -127.621     
1 1 1 68  8  1  o 11 -0.0798988   0.611141    285.429   -52.7417     92.0846   127.258      154.387   127.258      
1 1 1 68  8  2  o 19 0.905169     0.687606    120.723   -90.8936     85.9529   -90.8936     2.29844   89.1064      
1 1 1 68  8  3  o 18 1.93665      0.911908    83.4059   -172.944     150.238   -172.944     43.3392   -172.944     
1 1 1 69  1  0  o 3  10.1482      1.08262     912.176   5.55215      756.742   5.55215      27.8918   -174.448     
1 1 1 69  1  1  o 5  6.23488      0.919261    501.12    -80.905      407.064   -80.905      16.504    99.095       
1 1 1 69  1  2  o 10 7.62869      0.953882    578.646   51.2659      874.328   51.2659      188.14    51.2659      
1 1 1 69  1  3  o 11 2.94972      0.796143    510.951   6.80143      285.712   6.80143      71.5391   -173.199     
1 1 1 69  1  4  o 2  2.79659      0.782601    566.698   -100.946     79.4491   -100.946     191.68    79.0541      
1 1 1 69  1  5  f 0  -0.554322    0.722369    308.837   157.846      149.158   -22.1537     197.796   -22.1537     
1 1 1 69  1  6  f 0  1.94351      0.787909    224.739   -122.788     124.644   57.2122      150.62    57.2122      
1 1 1 69  1  7  o 8  1.52716      0.919384    319.854   -158.976     168.511   -158.976     39.4352   21.0235      
1 1 1 69  1  8  o 11 1.71118      1.53084     378.082   79.5114      131.547   -100.489     207.805   -100.489     
1 1 1 69  3  0  o 16 2.46906      0.778848    258.21    63.8055      239.343   63.8055      7.74562   63.8055      
1 1 1 69  3  1  o 3  0.422674     0.672562    263.388   39.1225      82.5022   -140.878     153.498   -140.878     
1 1 1 69  3  2  o 4  3.34953      0.793243    248.051   136.319      475.787   136.319      134.397   136.319      
1 1 1 69  3  3  o 11 5.08512      0.851698    478.024   -178.563     664.843   -178.563     137.5     -178.563     
1 1 1 69  3  4  o 6  4.02654      0.82337     501.768   82.5173      463.394   82.5173      31.2421   82.5173      
1 1 1 69  3  5  o 7  13.6113      1.09609     713.374   -57.7492     1265.16   -57.7492     351.71    -57.7492     
1 1 1 69  3  6  o 15 3.52112      1.024       312.894   17.9404      527.845   17.9404      142.32    17.9404      
1 1 1 69  3  7  o 8  -0.0777705   0.933096    133.849   -111.72      1.07114   68.2804      51.2674   68.2804      
1 1 1 69  3  8  o 17 3.17363      0.990744    461.767   55.9791      429.264   55.9791      38.0696   55.9791      
1 1 1 69  5  0  o 10 1.06101      0.649226    260.828   -153.222     36.3036   -153.222     88.3495   26.7777      
1 1 1 69  5  1  o 2  5.48033      0.937706    244.229   -79.0067     774.797   -79.0067     288.98    -79.0067     
1 1 1 69  5  2  o 9  11.9556      1.35312     536.479   107.59       1341.56   107.59       457.305   107.59       
1 1 1 69  5  3  o 13 0.973345     0.737902    179.103   -106.818     55.6503   -106.818     42.7078   73.1822      
1 1 1 69  5  4  o 18 0.392006     0.714942    353.399   -75.8893     62.9741   104.111      169.312   104.111      
1 1 1 69  5  5  o 1  2.49696      0.934298    615.811   -111.421     195.939   -111.421     138.194   68.5786      
1 1 1 69  5  6  o 12 2.37665      0.848305    177.342   -44.2058     385.462   -44.2058     126.251   -44.2058     
1 1 1 69  7  0  o 2  2.13346      0.776882    360.315   142.544      283.745   142.544      1.35288   142.544      
1 1 1 69  7  1  o 6  6.41982      0.88378     484.243   -157.71      896.546   -157.71      260.815   -157.71      
1 1 1 69  7  2  o 15 1.81855      0.706429    115.82    156.038      179.277   156.038      45.3719   156.038      
1 1 1 69  7  3  o 3  -1.55172     0.723927    132.119   -179.255     90.9842   0.745096     95.1503   0.745096     
1 1 1 69  7  4  f 0  0.615198     0.90953     30.821    178.695      4.4564    178.695      9.48804   -1.30465     
1 1 1 70  0  0  o 13 2.26603      1.0549      387.084   -2.18368e-13 144.157   5.11964e-13  96.9098   180          
1 1 1 70  0  1  o 11 7.0076       1.34364     672.896   180          796.141   180          109.2     180          
1 1 1 70  0  2  o 4  2.33779      1.15284     63.1795   0            ?         ?            ?         ?            
1 1 1 70  0  3  o 4  6.01959      1.22801     782.635   0            650.401   0            4.20026   0            
1 1 1 70  0  4  o 13 2.58703      1.12484     340.335   0            328.734   0            27.8647   0            
1 1 1 70  0  5  o 13 -0.24556     1.00872     68.2513   180          31.3729   5.03055e-15  42.6191   1.85155e-15  
1 1 1 70  0  6  o 1  -0.0334409   1.13374     106.997   0            ?         ?            ?         ?            
1 1 1 70  0  7  o 6  0.528724     1.24211     301.525   180          41.9675   3.1361e-14   135.754   4.84753e-15  
1 1 1 70  0  8  o 17 0.0680225    1.22078     21.5938   180          15.7169   2.76597e-16  16.0267   1.35626e-16  
1 1 1 70  2  0  o 11 0.581237     0.713556    356.772   8.35518      96.5833   -171.645     201.738   -171.645     
1 1 1 70  2  1  o 8  5.52842      0.826953    512.358   -42.6675     711.692   -42.6675     139.293   -42.6675     
1 1 1 70  2  2  o 19 8.74148      0.937567    408.639   -71.3026     1120.64   -71.3026     391.19    -71.3026     
1 1 1 70  2  3  o 1  2.52327      0.801038    374.243   105.453      300.901   105.453      1.11429   -74.547      
1 1 1 70  2  4  o 2  2.66685      0.815125    662.562   85.0361      215.5     85.0361      155.708   -94.9639     
1 1 1 70  2  5  o 14 10.2241      0.984755    290.393   127.021      1295.27   127.021      533.641   127.021      
1 1 1 70  2  6  o 18 5.36977      1.09617     473.309   -142.834     755.178   -142.834     194.445   -142.834     
1 1 1 70  2  7  o 15 0.970952     1.19618     175.451   -6.64506     85.4469   -6.64506     23.362    173.355      
1 1 1 70  4  0  o 6  4.0444       0.968686    414.188   -20.9034     517.558   -20.9034     88.5538   -20.9034     
1 1 1 70  4  1  o 9  3.26365      0.804008    297.442   -165.628     462.077   -165.628     110.54    -165.628     
1 1 1 70  4  2  o 7  10.827       0.988193    480.799   -62.6437     1280.17   -62.6437     448.044   -62.6437     
1 1 1 70  4  3  o 18 2.58886      0.775797    349.604   -32.8082     232.764   -32.8082     21.632    147.192      
1 1 1 70  4  4  o 13 1.43155      0.823952    545.1     139.063      237.271   -40.9371     331.722   -40.9371     
1 1 1 70  4  5  o 19 0.838867     0.767694    142.578   138.67       40.1227   138.67       34.8377   -41.3299     
1 1 1 70  4  6  o 8  9.54522      1.32184     294.712   -156.844     1271.01   -156.844     524.782   -156.844     
1 1 1 70  6  0  o 13 3.59849      0.888694    394.479   -45.9663     511.301   -45.9663     100.626   -45.9663     
1 1 1 70  6  1  o 6  2.63497      0.78269     325.185   105.17       274.558   105.17       10.2057   105.17       
1 1 1 70  6  2  o 18 2.80773      0.753926    405.393   -145.234     457.63    -145.234     71.7738   -145.234     
1 1 1 70  6  3  f 0  1.73181      0.761198    329.375   -129.37      237.607   -129.37      6.82855   50.6298      
1 1 1 70  6  4  o 14 1.09147      1.08312     190.506   47.6494      42.5768   -132.351     92.7022   -132.351     
1 1 1 70  8  0  o 17 2.14392      0.774163    192.448   89.5342      329.125   89.5342      92.1432   89.5342      
1 1 1 71  1  0  o 15 -0.110193    0.683266    371.457   -167.753     174.721   12.2475      244.558   12.2475      
1 1 1 71  1  1  o 5  2.5397       0.743378    364.129   36.0827      302.971   36.0827      0.0479198 36.0827      
1 1 1 71  1  2  o 18 0.250442     0.652101    206.423   -47.6794     166.075   132.321      167.229   132.321      
1 1 1 71  1  3  o 19 1.15202      0.763623    451.444   -157.264     38.5418   -157.264     161.49    22.7364      
1 1 1 71  1  4  o 17 6.92956      0.962214    763.96    85.8368      737.462   85.8368      67.1447   85.8368      
1 1 1 71  1  5  o 15 -0.371291    0.842644    279.493   13.7405      189.166   -166.26      203.677   -166.26      
1 1 1 71  1  6  o 5  -0.93403     1.07884     130.789   -1.24068     ?         ?            ?         ?            
1 1 1 71  1  7  o 17 2.33949      1.14686     111.26    -17.4599     213.677   -17.4599     65.1421   -17.4599     
1 1 1 71  3  0  o 8  2.04901      0.760089    271.937   -114.275     214.799   -114.275     4.29983   65.7245      
1 1 1 71  3  1  o 7  1.77864      0.744324    417.852   79.2047      166.589   79.2048      85.876    -100.795     
1 1 1 71  3  2  o 10 2.65292      0.749044    234.327   -74.3722     239.31    -74.3722     26.1157   -74.3722     
1 1 1 71  3  3  o 16 4.75051      0.852047    369.317   -16.2116     722.442   -16.2116     215.494   -16.2116     
1 1 1 71  3  4  f 0  1.50384      0.789883    311.344   -42.2707     155.504   -42.2707     43.8938   137.729      
1 1 1 71  3  5  o 3  -0.177312    1.02049     364.743   141.953      ?         ?            ?         ?            
1 1 1 71  3  6  o 6  3.5609       1.23501     272.07    168.729      476.001   168.729      135.871   168.729      
1 1 1 71  5  0  o 11 3.43124      0.802954    221.896   31.8328      495.737   31.8328      160.215   31.8328      
1 1 1 71  5  1  o 10 2.38344      0.797711    319.887   31.6         357.148   31.6         52.9737   31.6         
1 1 1 71  5  2  o 2  -0.848105    0.704791    59.9351   -144.425     ?         ?            ?         ?            
1 1 1 71  5  3  o 9  1.18376      0.789598    261.996   73.3935      154.156   73.3935      23.7926   -106.606     
1 1 1 71  5  4  o 2  0.851355     0.974929    350.591   -106.625     166.787   73.3747      215.684   73.3747      
1 1 1 71  5  5  o 14 1.42039      0.982443    371.118   108.304      66.1126   108.304      107.463   -71.6956     
1 1 1 71  7  0  o 16 -0.153194    0.749463    111.906   -43.8846     2.86196   136.115      43.7038   136.115      
1 1 1 71  7  1  o 4  -1.21418     0.685008    58.8773   28.4661      ?         ?            ?         ?            
1 1 1 71  7  2  o 15 1.01856      0.921026    334.639   23.2784      101.25    23.2784      76.9412   -156.722     
1 1 1 72  0  0  o 2  2.85823      1.12167     440.483   -1.34958e-14 321.167   1.52991e-14  21.4567   180          
1 1 1 72  0  1  o 17 2.07185      1.0545      48.0602   0            ?         ?            ?         ?            
1 1 1 72  0  2  o 16 6.38897      1.293       656.352   180          821.663   180          147.867   180          
1 1 1 72  0  3  o 9  2.31111      1.10264     551.75    180          139.587   180          148.423   1.36157e-14  
1 1 1 72  0  4  o 13 0.0585995    0.999285    188.639   0            56.9392   180          102.317   180          
1 1 1 72  0  5  o 11 2.00796      1.76627     367.213   180          160.463   180          61.4825   2.53296e-14  
1 1 1 72  0  6  o 9  0.331697     1.72358     161.881   0            ?         ?            ?         ?            
1 1 1 72  2  0  o 4  1.36096      0.764632    259.334   40.5476      90.1062   40.5476      60.6726   -139.452     
1 1 1 72  2  1  o 13 11.8909      1.04859     390.407   154.232      1420.4    154.232      553.148   154.232      
1 1 1 72  2  2  o 2  2.20259      0.80044     940.316   117.765      150.805   -62.2347     448.989   -62.2347     
1 1 1 72  2  3  o 9  1.73304      0.768946    553.827   -43.2281     10.7976   136.772      223.222   136.772      
1 1 1 72  2  4  o 7  5.53284      0.997734    576.407   -134.169     720.373   -134.169     135.777   -134.169     
1 1 1 72  2  5  o 13 4.81706      1.36622     267.729   -76.4916     670.035   -76.4916     232.7     -76.4916     
1 1 1 72  2  6  o 12 0.68351      1.03367     551.978   25.8912      305.138   -154.109     359.408   -154.109     
1 1 1 72  4  0  o 14 3.156        1.00628     532.502   154          332.761   154          44.5363   -26.0002     
1 1 1 72  4  1  o 15 1.68168      0.769401    414.776   5.61166      190.322   5.61166      68.0422   -174.388     
1 1 1 72  4  2  o 14 11.3794      1.00905     492.093   107.321      1333.44   107.321      474.47    107.321      
1 1 1 72  4  3  o 18 -0.0509723   0.882393    145.171   -127.36      29.4258   52.6396      70.7985   52.6396      
1 1 1 72  4  4  o 2  -1.93643     1.08633     401.027   72.9271      ?         ?            ?         ?            
1 1 1 72  4  5  o 2  -0.635632    0.845532    119.777   -4.04935     ?         ?            ?         ?            
1 1 1 72  6  0  o 18 4.06         1.01191     154.105   117.167      572.602   117.167      227.185   117.167      
1 1 1 72  6  1  o 15 0.681886     0.803162    124.52    -122.526     54.1927   -122.526     20.0832   57.4741      
1 1 1 72  6  2  o 3  1.83414      0.945374    186.344   57.0664      111.336   57.0664      14.1637   -122.934     
1 1 1 72  6  3  o 11 0.270006     1.0397      200.608   106.814      30.4483   106.814      62.0294   -73.1861     
1 1 1 73  1  0  o 10 4.88658      0.859894    329.795   -147.889     682.8     -147.889     208.649   -147.889     
1 1 1 73  1  1  o 12 1.53936      0.798624    333.769   -124.003     156.916   -124.003     54.4584   55.9967      
1 1 1 73  1  2  o 11 2.22322      0.764373    295.403   64.5296      332.485   64.5296      49.7169   64.5296      
1 1 1 73  1  3  o 16 0.912426     0.750366    214.841   121.862      26.6884   121.862      70.6752   -58.1377     
1 1 1 73  1  4  o 4  5.29531      1.31795     461.674   -88.9638     631.953   -88.9639     137.736   -88.9639     
1 1 1 73  1  5  o 12 0.208683     1.52868     40.793    51.2108      19.711    51.2108      5.54024   -128.789     
1 1 1 73  1  6  o 5  9.00558      1.13175     726.162   -170.998     985.322   -170.998     215.586   -170.998     
1 1 1 73  3  0  o 19 1.90946      0.820881    280.354   63.4608      221.241   63.4608      0.358497  -116.539     
1 1 1 73  3  1  o 10 2.92394      0.825564    374.75    -141.375     419.96    -141.375     62.6056   -141.375     
1 1 1 73  3  2  o 7  1.72923      0.882918    194.352   -121.963     155.83    -121.963     2.03521   -121.963     
1 1 1 73  3  3  o 11 1.36441      0.983361    516.286   135.085      63.4439   135.085      167.514   -44.9147     
1 1 1 73  3  4  o 16 -2.39957     1.1024      366.375   -100.713     ?         ?            ?         ?            
1 1 1 73  3  5  o 4  6.4635       1.08916     491.638   41.9976      820.226   41.9976      224.729   41.9976      
1 1 1 73  5  0  o 15 3.0176       0.86825     301.123   -32.389      456.346   -32.389      111.701   -32.389      
1 1 1 73  5  1  o 7  3.4672       0.903375    208.729   107.348      498.535   107.348      169.408   107.348      
1 1 1 73  5  2  f 0  4.41299      1.52309     278.147   -93.2692     476.522   -93.2692     133.444   -93.2692     
1 1 1 73  5  3  o 3  0.449184     1.09273     73.8641   128.097      ?         ?            ?         ?            
1 1 1 74  0  0  o 4  2.07887      1.12277     140.792   180          118.941   -180         3.59342   -180         
1 1 1 74  0  1  o 9  1.02119      1.11696     137.565   0            85.458    180          96.932    180          
1 1 1 74  0  2  o 11 13.8279      1.59173     709.423   0            1462.06   0            453.533   0            
1 1 1 74  0  3  o 10 3.24888      1.61875     266.902   0            367.398   0            80.4096   0            
1 1 1 74  0  4  o 3  -0.743375    2.02164     95.1558   180          6.34643   180          32.9443   8.36842e-15  
1 1 1 74  0  5  o 2  0.849097     1.21065     203.03    180          39.5791   2.00155e-14  96.0297   4.12474e-15  
1 1 1 74  2  0  o 6  1.79863      0.770243    237.194   179.239      208.937   179.239      10.919    179.239      
1 1 1 74  2  1  o 9  1.90298      0.771311    258.263   10.8431      256.842   10.8431      27.1752   10.8431      
1 1 1 74  2  2  o 12 2.9681       0.921947    377.934   -23.7804     451.664   -23.7804     78.8394   -23.7804     
1 1 1 74  2  3  o 15 4.10914      1.65222     416.369   -118.067     440.118   -118.067     60.378    -118.067     
1 1 1 74  2  4  o 18 6.03247      1.69242     316.168   90.3546      701.117   90.3546      231.727   90.3546      
1 1 1 74  2  5  o 17 0.863358     0.855879    111.051   -24.4536     9.94298   -24.4536     37.7536   155.546      
1 1 1 74  4  0  o 1  0.187221     0.837792    170.3     -70.8131     7.92776   -70.8131     62.0993   109.187      
1 1 1 74  4  1  o 15 5.87735      0.944178    122.755   -57.5247     723.463   -57.5247     314.588   -57.5247     
1 1 1 74  4  2  o 4  0.719342     1.12834     72.9908   105.608      47.8236   105.608      3.69201   -74.3924     
1 1 1 74  4  3  o 4  1.59969      1.22951     149.253   36.9274      16.351    -143.073     64.1448   -143.073     
1 1 1 74  6  0  o 11 1.89509      0.847076    88.6858   114.799      170.828   114.799      51.8479   114.799      
1 1 1 75  1  0  o 4  1.07791      0.767439    194.445   2.67323      84.2723   2.67323      34.105    -177.327     
1 1 1 75  1  1  o 10 5.04924      0.97868     407.377   7.85868      681.494   7.85868      182.025   7.85868      
1 1 1 75  1  2  o 7  6.02868      1.71847     338.067   -141.708     735.961   -141.708     237.669   -141.708     
1 1 1 75  1  3  o 3  4.7548       1.99253     373.25    49.9397      438.141   49.9397      77.7413   49.9397      
1 1 1 75  1  4  o 4  2.08306      0.93372     253.748   95.953       322.431   95.953       65.9514   95.953       
1 1 1 75  3  0  o 16 0.877926     0.770501    544.827   -75.9386     44.884    104.061      233.573   104.061      
1 1 1 75  3  1  o 4  6.10755      1.23007     369.086   -126.489     812.818   -126.489     264.885   -126.489     
1 1 1 75  3  2  o 10 1.39163      1.56313     221.484   168.272      86.6056   168.272      40.3117   -11.7279     
1 1 1 75  3  3  o 17 4.05151      1.09932     625.11    21.0728      377.425   21.0728      46.0214   -158.927     
1 1 1 75  5  0  o 14 1.76711      0.911667    49.8828   109.897      89.0806   109.897      25.847    109.897      
1 1 1 75  5  1  o 8  3.14108      1.38015     310.79    -8.1264      381.215   -8.1264      71.8269   -8.1264      
1 1 1 76  0  0  o 2  0.382613     1.41359     199.242   -1.1763e-14  10.6908   180          82.7391   180          
1 1 1 76  0  1  o 13 -0.188315    1.67435     184.522   180          18.0985   4.80176e-14  80.0254   5.42981e-15  
1 1 1 76  0  2  o 15 -0.725652    1.90919     119.586   0            ?         ?            ?         ?            
1 1 1 76  0  3  f 0  3.02945      1.28289     218.159   180          461.652   180          149.055   180          
1 1 1 76  2  0  o 13 -0.629376    0.915026    282.934   82.6981      57.9129   -97.3019     137.995   -97.3019     
1 1 1 76  2  1  o 10 1.19847      1.51803     460.105   162.212      234.642   -17.7879     292.467   -17.7879     
1 1 1 76  2  2  o 18 1.00782      1.08262     364.26    -91.7327     96.6303   -91.7327     88.4003   88.2673      
1 1 1 76  2  3  o 4  0.87442      0.84482     116.663   64.4112      35.0164   64.4112      26.8994   -115.589     
1 1 1 76  4  0  o 6  1.40606      1.10377     278.139   72.5533      168.765   72.5533      19.8588   -107.447     
1 1 1 76  4  1  o 16 0.782616     1.12646     75.5322   -56.9682     39.0832   -56.9682     9.05673   123.032      
1 1 1 77  1  0  o 10 2.92162      1.5575      269.921   95.8489      326.167   95.8489      60.3188   95.8489      
1 1 1 77  1  1  o 9  0.889183     1.34109     249.96    11.9261      82.224    -168.074     135.101   -168.074     
1 1 1 77  1  2  o 3  6.41684      0.992212    632.887   133.203      782.418   133.203      152.986   133.203      
1 1 1 77  3  0  o 2  4.27847      1.55951     166.212   60.0167      473.649   60.0167      174.547   60.0167      
1 1 1 77  3  1  o 1  5.82794      1.26669     403.892   86.01        794.801   86.01        243.609   86.01        
1 1 1 78  0  0  o 5  0.226759     1.477       83.008    -2.57749e-13 6.75307   2.37545e-12  27.7421   180          
1 1 1 78  0  1  o 8  -0.00590262  1.0359      247.298   180          89.6296   7.6234e-15   138.319   2.46995e-15  
1 1 1 78  2  0  o 18 0.660657     0.987878    241.487   154.314      82.7144   154.314      49.562    -25.6855     
1 1 1 -43 15 2  < 6  ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 -32 16 6  < 13 ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 -28 14 14 < 2  ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 -13 13 17 < 0  ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 -7  13 17 < 4  ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 2   0  0  < 10 ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 3   15 13 < 5  ?            ?           308.068   -20.1786     ?         ?            ?         ?            
1 1 1 3   17 7  < 4  ?            ?           138.88    58.6485      ?         ?            ?         ?            
1 1 1 8   16 10 < 12 ?            ?           219.525   -110.886     ?         ?            ?         ?            
1 1 1 12  8  21 < 11 ?            ?           136.131   -152.796     ?         ?            ?         ?            
1 1 1 17  13 15 < 5  ?            ?           296.865   -155.711     ?         ?            ?         ?            
1 1 1 17  17 4  < 4  ?            ?           102.824   124.203      ?         ?            ?         ?            
1 1 1 20  8  20 < 2  ?            ?           210.105   -52.7916     ?         ?            ?         ?            
1 1 1 21  17 2  < 16 ?            ?           297.425   -162.342     ?         ?            ?         ?            
1 1 1 23  17 0  < 2  ?            ?           ?         ?            ?         ?            ?         ?            
1 1 1 24  2  22 < 11 ?            ?           215.548   81.3916      ?         ?            ?         ?            
1 1 1 30  2  21 < 19 ?            ?           297.282   110.461      ?         ?            ?         ?            
1 1 1 30  12 14 < 16 ?            ?           182.684   -144.901     ?         ?            ?         ?            
1 1 1 34  12 13 < 14 ?            ?           43.3983   -128.84      ?         ?            ?         ?            
1 1 1 43  3  18 < 13 ?            ?           202.64    38.0287      ?         ?            ?         ?            
1 1 1 43  13 8  < 3  ?            ?           337.863   -72.1179     ?         ?            ?         ?            
1 1 1 46  14 3  < 18 ?            ?           157.683   135.162      ?         ?            ?         ?            
1 1 1 47  9  13 < 0  ?            ?           78.2084   120.749      ?         ?            ?         ?            
1 1 1 47  13 6  < 17 ?            ?           333.448   -61.9819     ?         ?            ?         ?            
1 1 1 48  12 8  < 5  ?            ?           327.507   -60.7665     ?         ?            ?         ?            
1 1 1 50  8  13 < 16 ?            ?           449.906   -46.5487     ?         ?            ?         ?            
1 1 1 2   8  22 x 0  ?            ?           61.6514   91.8191      ?         ?            ?         ?            
1 1 1 2   4  24 x 0  ?            ?           302.612   80.1314      ?         ?            ?         ?            
1 1 1 4   14 15 x 0  ?            ?           144.174   -37.7535     ?         ?            ?         ?            
1 1 1 4   12 18 x 0  ?            ?           343.192   32.3311      ?         ?            ?         ?            
1 1 1 4   8  22 x 0  ?            ?           303.231   -87.9345     ?         ?            ?         ?            
1 1 1 4   6  23 x 0  ?            ?           282.934   21.1294      ?         ?            ?         ?            
1 1 1 4   4  24 x 0  ?            ?           37.0784   113.894      ?         ?            ?         ?            
1 1 1 5   17 7  x 0  ?            ?           44.7435   35.38        ?         ?            ?         ?            
1 1 1 5   15 13 x 0  ?            ?           252.871   -120.582     ?         ?            ?         ?            
1 1 1 5   11 19 x 0  ?            ?           95.1871   -22.561      ?         ?            ?         ?            
1 1 1 5   9  21 x 0  ?            ?           238.408   -150.97      ?         ?            ?         ?            
1 1 1 6   14 15 x 0  ?            ?           278.913   52.4241      ?         ?            ?         ?            
1 1 1 6   12 18 x 0  ?            ?           263.132   -35.7814     ?         ?            ?         ?            
1 1 1 6   10 20 x 0  ?            ?           257.619   123.656      ?         ?            ?         ?            
1 1 1 6   8  22 x 0  ?            ?           326.562   139.234      ?         ?            ?         ?            
1 1 1 6   6  23 x 0  ?            ?           484.723   -132.061     ?         ?            ?         ?            
1 1 1 6   4  24 x 0  ?            ?           317.139   -109.978     ?         ?            ?         ?            
1 1 1 7   17 7  x 0  ?            ?           310.16    -74.9357     ?         ?            ?         ?            
1 1 1 7   15 13 x 0  ?            ?           190.287   74.4205      ?         ?            ?         ?            
1 1 1 7   11 19 x 0  ?            ?           123.067   -128.773     ?         ?            ?         ?            
1 1 1 7   9  21 x 0  ?            ?           207.482   78.0836      ?         ?            ?         ?            
1 1 1 7   3  24 x 0  ?            ?           661.512   55.8684      ?         ?            ?         ?            
1 1 1 8   14 15 x 0  ?            ?           228.906   -150.021     ?         ?            ?         ?            
1 1 1 8   12 18 x 0  ?            ?           461.01    126.534      ?         ?            ?         ?            
1 1 1 8   10 20 x 0  ?            ?           425.369   -50.0205     ?         ?            ?         ?            
1 1 1 8   8  22 x 0  ?            ?           186.123   75.1372      ?         ?            ?         ?            
1 1 1 8   6  23 x 0  ?            ?           513.594   143.621      ?         ?            ?         ?            
1 1 1 8   4  24 x 0  ?            ?           246.517   142.218      ?         ?            ?         ?            
1 1 1 8   2  24 x 0  ?            ?           205.797   -66.8774     ?         ?            ?         ?            
1 1 1 9   17 7  x 0  ?            ?           368.694   132.815      ?         ?            ?         ?            
1 1 1 9   15 13 x 0  ?            ?           148.383   167.526      ?         ?            ?         ?            
1 1 1 9   13 17 x 0  ?            ?           178.569   156.966      ?         ?            ?         ?            
1 1 1 9   11 19 x 0  ?            ?           61.9354   -56.9065     ?         ?            ?         ?            
1 1 1 9   9  21 x 0  ?            ?           292.167   -37.1158     ?         ?            ?         ?            
1 1 1 9   7  22 x 0  ?            ?           208.495   -69.9084     ?         ?            ?         ?            
1 1 1 9   5  23 x 0  ?            ?           114.354   18.0008      ?         ?            ?         ?            
1 1 1 9   3  24 x 0  ?            ?           192.19    -108.035     ?         ?            ?         ?            
1 1 1 9   1  24 x 0  ?            ?           218.289   177.674      ?         ?            ?         ?            
1 1 1 10  16 10 x 0  ?            ?           218.577   87.4991      ?         ?            ?         ?            
1 1 1 10  14 15 x 0  ?            ?           134.04    41.5714      ?         ?            ?         ?            
1 1 1 10  12 18 x 0  ?            ?           59.2773   -87.8569     ?         ?            ?         ?            
1 1 1 10  10 20 x 0  ?            ?           126.513   140.964      ?         ?            ?         ?            
1 1 1 10  8  22 x 0  ?            ?           123.501   10.279       ?         ?            ?         ?            
1 1 1 10  6  23 x 0  ?            ?           110.168   -62.9048     ?         ?            ?         ?            
1 1 1 10  4  24 x 0  ?            ?           321.188   -59.892      ?         ?            ?         ?            
1 1 1 10  2  24 x 0  ?            ?           285.871   -66.894      ?         ?            ?         ?            
1 1 1 10  0  24 x 0  ?            ?           401.448   0            ?         ?            ?         ?            
1 1 1 11  17 6  x 0  ?            ?           147.654   -178.507     ?         ?            ?         ?            
1 1 1 11  15 13 x 0  ?            ?           208.377   97.2855      ?         ?            ?         ?            
1 1 1 11  13 17 x 0  ?            ?           281.717   -10.4858     ?         ?            ?         ?            
1 1 1 11  13 16 x 0  ?            ?           134.941   -18.9        ?         ?            ?         ?            
1 1 1 11  11 19 x 0  ?            ?           103.305   78.4144      ?         ?            ?         ?            
1 1 1 11  7  22 x 0  ?            ?           66.0628   52.9164      ?         ?            ?         ?            
1 1 1 11  5  23 x 0  ?            ?           63.1312   38.197       ?         ?            ?         ?            
1 1 1 11  3  24 x 0  ?            ?           297.321   112.304      ?         ?            ?         ?            
1 1 1 11  1  24 x 0  ?            ?           301.488   117.999      ?         ?            ?         ?            
1 1 1 12  16 10 x 0  ?            ?           25.9749   -143.874     ?         ?            ?         ?            
1 1 1 12  14 15 x 0  ?            ?           99.5621   151.391      ?         ?            ?         ?            
1 1 1 12  12 18 x 0  ?            ?           112.75    -12.6325     ?         ?            ?         ?            
1 1 1 12  10 20 x 0  ?            ?           263.807   43.6377      ?         ?            ?         ?            
1 1 1 12  8  22 x 0  ?            ?           159.086   -139.37      ?         ?            ?         ?            
1 1 1 12  6  23 x 0  ?            ?           209.006   -65.4612     ?         ?            ?         ?            
1 1 1 12  4  24 x 0  ?            ?           402.575   50.6524      ?         ?            ?         ?            
1 1 1 12  2  24 x 0  ?            ?           173.958   -37.4781     ?         ?            ?         ?            
1 1 1 12  0  24 x 0  ?            ?           210.788   180          ?         ?            ?         ?            
1 1 1 13  17 6  x 0  ?            ?           226.287   -49.7039     ?         ?            ?         ?            
1 1 1 13  15 13 x 0  ?            ?           270.962   -40.9486     ?         ?            ?         ?            
1 1 1 13  15 12 x 0  ?            ?           243.996   122.307      ?         ?            ?         ?            
1 1 1 13  13 16 x 0  ?            ?           297.891   90.4524      ?         ?            ?         ?            
1 1 1 13  11 19 x 0  ?            ?           76.0735   -128.77      ?         ?            ?         ?            
1 1 1 13  5  23 x 0  ?            ?           421.047   53.4588      ?         ?            ?         ?            
1 1 1 13  3  24 x 0  ?            ?           374.206   -128.443     ?         ?            ?         ?            
1 1 1 13  1  24 x 0  ?            ?           107.971   -108.029     ?         ?            ?         ?            
1 1 1 14  16 10 x 0  ?            ?           216.435   -70.0699     ?         ?            ?         ?            
1 1 1 14  14 15 x 0  ?            ?           124.965   84.2039      ?         ?            ?         ?            
1 1 1 14  14 14 x 0  ?            ?           197.463   -73.8838     ?         ?            ?         ?            
1 1 1 14  12 17 x 0  ?            ?           71.286    104.307      ?         ?            ?         ?            
1 1 1 14  10 20 x 0  ?            ?           369.48    -95.0094     ?         ?            ?         ?            
1 1 1 14  8  22 x 0  ?            ?           127.826   105.838      ?         ?            ?         ?            
1 1 1 14  8  21 x 0  ?            ?           346.92    20.1187      ?         ?            ?         ?            
1 1 1 14  6  23 x 0  ?            ?           61.2083   99.876       ?         ?            ?         ?            
1 1 1 14  6  22 x 0  ?            ?           273.816   131.908      ?         ?            ?         ?            
1 1 1 14  4  24 x 0  ?            ?           113.286   162.553      ?         ?            ?         ?            
1 1 1 14  4  23 x 0  ?            ?           284.266   -50.1353     ?         ?            ?         ?            
1 1 1 14  2  24 x 0  ?            ?           344.066   62.6498      ?         ?            ?         ?            
1 1 1 14  0  24 x 0  ?            ?           313.943   0            ?         ?            ?         ?            
1 1 1 15  17 6  x 0  ?            ?           63.8184   -29.3651     ?         ?            ?         ?            
1 1 1 15  17 5  x 0  ?            ?           432.522   -59.2429     ?         ?            ?         ?            
1 1 1 15  15 13 x 0  ?            ?           225.209   -175.472     ?         ?            ?         ?            
1 1 1 15  15 12 x 0  ?            ?           242.391   119.259      ?         ?            ?         ?            
1 1 1 15  13 16 x 0  ?            ?           164.365   152.276      ?         ?            ?         ?            
1 1 1 15  11 19 x 0  ?            ?           43.1618   78.2015      ?         ?            ?         ?            
1 1 1 15  11 18 x 0  ?            ?           93.6053   -97.897      ?         ?            ?         ?            
1 1 1 15  9  21 x 0  ?            ?           85.8398   -159.056     ?         ?            ?         ?            
1 1 1 15  9  20 x 0  ?            ?           133.485   53.1451      ?         ?            ?         ?            
1 1 1 15  7  22 x 0  ?            ?           188.258   60.668       ?         ?            ?         ?            
1 1 1 15  5  23 x 0  ?            ?           424.689   -172.047     ?         ?            ?         ?            
1 1 1 15  3  23 x 0  ?            ?           130.789   157.786      ?         ?            ?         ?            
1 1 1 15  1  24 x 0  ?            ?           193.591   -106.353     ?         ?            ?         ?            
1 1 1 16  16 10 x 0  ?            ?           27.6901   -143.952     ?         ?            ?         ?            
1 1 1 16  16 9  x 0  ?            ?           186.538   133.613      ?         ?            ?         ?            
1 1 1 16  14 15 x 0  ?            ?           109.356   -176.25      ?         ?            ?         ?            
1 1 1 16  14 14 x 0  ?            ?           396.195   109.559      ?         ?            ?         ?            
1 1 1 16  12 18 x 0  ?            ?           195.249   166.425      ?         ?            ?         ?            
1 1 1 16  12 17 x 0  ?            ?           208.209   162.867      ?         ?            ?         ?            
1 1 1 16  10 20 x 0  ?            ?           334.159   145.121      ?         ?            ?         ?            
1 1 1 16  10 19 x 0  ?            ?           140.171   8.27134      ?         ?            ?         ?            
1 1 1 16  8  22 x 0  ?            ?           115.488   21.5623      ?         ?            ?         ?            
1 1 1 16  6  23 x 0  ?            ?           354.341   4.46974      ?         ?            ?         ?            
1 1 1 16  6  22 x 0  ?            ?           226.359   143.234      ?         ?            ?         ?            
1 1 1 16  4  24 x 0  ?            ?           301.458   137.463      ?         ?            ?         ?            
1 1 1 16  4  23 x 0  ?            ?           266.056   38.5825      ?         ?            ?         ?            
1 1 1 16  2  24 x 0  ?            ?           53.1902   160.433      ?         ?            ?         ?            
1 1 1 16  0  24 x 0  ?            ?           311.459   180          ?         ?            ?         ?            
1 1 1 17  17 5  x 0  ?            ?           290.522   140.402      ?         ?            ?         ?            
1 1 1 17  15 13 x 0  ?            ?           463.204   4.64428      ?         ?            ?         ?            
1 1 1 17  15 12 x 0  ?            ?           191.689   -5.58076     ?         ?            ?         ?            
1 1 1 17  11 19 x 0  ?            ?           239.319   -107.305     ?         ?            ?         ?            
1 1 1 17  11 18 x 0  ?            ?           140.418   26.8798      ?         ?            ?         ?            
1 1 1 17  9  21 x 0  ?            ?           253.021   141.05       ?         ?            ?         ?            
1 1 1 17  9  20 x 0  ?            ?           72.7062   -15.3829     ?         ?            ?         ?            
1 1 1 17  7  22 x 0  ?            ?           483.549   -101.817     ?         ?            ?         ?            
1 1 1 17  3  24 x 0  ?            ?           99.5504   53.4728      ?         ?            ?         ?            
1 1 1 17  3  23 x 0  ?            ?           240.187   -102.378     ?         ?            ?         ?            
1 1 1 17  1  24 x 0  ?            ?           203.887   31.5741      ?         ?            ?         ?            
1 1 1 18  16 10 x 0  ?            ?           212.679   11.1437      ?         ?            ?         ?            
1 1 1 18  14 15 x 0  ?            ?           309.821   17.5814      ?         ?            ?         ?            
1 1 1 18  14 14 x 0  ?            ?           272.455   -23.9371     ?         ?            ?         ?            
1 1 1 18  12 18 x 0  ?            ?           132.406   13.5225      ?         ?            ?         ?            
1 1 1 18  12 17 x 0  ?            ?           317.45    -95.6253     ?         ?            ?         ?            
1 1 1 18  10 20 x 0  ?            ?           415.147   16.0554      ?         ?            ?         ?            
1 1 1 18  10 19 x 0  ?            ?           158.31    113.657      ?         ?            ?         ?            
1 1 1 18  8  22 x 0  ?            ?           160.463   80.6915      ?         ?            ?         ?            
1 1 1 18  8  21 x 0  ?            ?           298.773   153.062      ?         ?            ?         ?            
1 1 1 18  6  23 x 0  ?            ?           223.788   121.145      ?         ?            ?         ?            
1 1 1 18  6  22 x 0  ?            ?           213.666   97.4517      ?         ?            ?         ?            
1 1 1 18  4  24 x 0  ?            ?           290.848   -86.243      ?         ?            ?         ?            
1 1 1 18  4  23 x 0  ?            ?           63.7433   68.2264      ?         ?            ?         ?            
1 1 1 18  2  24 x 0  ?            ?           125.55    -132.279     ?         ?            ?         ?            
1 1 1 18  2  23 x 0  ?            ?           127.05    -52.9101     ?         ?            ?         ?            
1 1 1 18  0  24 x 0  ?            ?           85.2208   0            ?         ?            ?         ?            
1 1 1 18  0  23 x 0  ?            ?           390.378   0            ?         ?            ?         ?            
1 1 1 19  17 4  x 0  ?            ?           153.917   18.7544      ?         ?            ?         ?            
1 1 1 19  15 12 x 0  ?            ?           55.9508   -154.02      ?         ?            ?         ?            
1 1 1 19  15 11 x 0  ?            ?           262.609   -129.243     ?         ?            ?         ?            
1 1 1 19  13 16 x 0  ?            ?           300.545   -8.50877     ?         ?            ?         ?            
1 1 1 19  13 15 x 0  ?            ?           379.961   79.5536      ?         ?            ?         ?            
1 1 1 19  11 18 x 0  ?            ?           279.45    173.425      ?         ?            ?         ?            
1 1 1 19  9  21 x 0  ?            ?           85.4315   -1.30465     ?         ?            ?         ?            
1 1 1 19  9  20 x 0  ?            ?           399.733   -126.098     ?         ?            ?         ?            
1 1 1 19  7  22 x 0  ?            ?           290.179   98.4717      ?         ?            ?         ?            
1 1 1 19  7  21 x 0  ?            ?           156.179   39.2434      ?         ?            ?         ?            
1 1 1 19  5  23 x 0  ?            ?           76.2717   87.2269      ?         ?            ?         ?            
1 1 1 19  5  22 x 0  ?            ?           320.832   -101.117     ?         ?            ?         ?            
1 1 1 19  3  24 x 0  ?            ?           71.6265   -171.035     ?         ?            ?         ?            
1 1 1 19  3  23 x 0  ?            ?           148.078   -113.138     ?         ?            ?         ?            
1 1 1 19  1  24 x 0  ?            ?           108.995   -86.1062     ?         ?            ?         ?            
1 1 1 19  1  23 x 0  ?            ?           402.645   162.99       ?         ?            ?         ?            
1 1 1 20  16 8  x 0  ?            ?           116.329   108.373      ?         ?            ?         ?            
1 1 1 20  14 14 x 0  ?            ?           212.603   101          ?         ?            ?         ?            
1 1 1 20  14 13 x 0  ?            ?           177.168   113.163      ?         ?            ?         ?            
1 1 1 20  12 18 x 0  ?            ?           127.022   -133.515     ?         ?            ?         ?            
1 1 1 20  12 17 x 0  ?            ?           217.758   59.2691      ?         ?            ?         ?            
1 1 1 20  12 16 x 0  ?            ?           323.844   -21.0369     ?         ?            ?         ?            
1 1 1 20  10 19 x 0  ?            ?           334.106   -131.959     ?         ?            ?         ?            
1 1 1 20  8  22 x 0  ?            ?           77.0657   -83.1321     ?         ?            ?         ?            
1 1 1 20  8  21 x 0  ?            ?           183.436   -70.0217     ?         ?            ?         ?            
1 1 1 20  6  23 x 0  ?            ?           310.583   -107.216     ?         ?            ?         ?            
1 1 1 20  6  22 x 0  ?            ?           398.307   -52.4853     ?         ?            ?         ?            
1 1 1 20  4  24 x 0  ?            ?           74.7716   53.3163      ?         ?            ?         ?            
1 1 1 20  4  23 x 0  ?            ?           310.221   -170.343     ?         ?            ?         ?            
1 1 1 20  2  24 x 0  ?            ?           218.55    80.6254      ?         ?            ?         ?            
1 1 1 20  2  23 x 0  ?            ?           44.7698   112.323      ?         ?            ?         ?            
1 1 1 20  0  24 x 0  ?            ?           375.369   180          ?         ?            ?         ?            
1 1 1 20  0  23 x 0  ?            ?           242.768   0            ?         ?            ?         ?            
1 1 1 21  17 4  x 0  ?            ?           276.911   -122.794     ?         ?            ?         ?            
1 1 1 21  17 3  x 0  ?            ?           393.465   143.363      ?         ?            ?         ?            
1 1 1 21  15 12 x 0  ?            ?           64.5026   57.9814      ?         ?            ?         ?            
1 1 1 21  15 11 x 0  ?            ?           232.212   46.6918      ?         ?            ?         ?            
1 1 1 21  13 16 x 0  ?            ?           211.957   169.356      ?         ?            ?         ?            
1 1 1 21  13 15 x 0  ?            ?           205.396   5.75039      ?         ?            ?         ?            
1 1 1 21  11 19 x 0  ?            ?           92.7958   -32.1245     ?         ?            ?         ?            
1 1 1 21  11 18 x 0  ?            ?           3.39183   -47.935      ?         ?            ?         ?            
1 1 1 21  9  21 x 0  ?            ?           333.635   -55.4297     ?         ?            ?         ?            
1 1 1 21  9  20 x 0  ?            ?           109.9     100.901      ?         ?            ?         ?            
1 1 1 21  7  22 x 0  ?            ?           224.676   -146.574     ?         ?            ?         ?            
1 1 1 21  7  21 x 0  ?            ?           195.983   -162.018     ?         ?            ?         ?            
1 1 1 21  5  23 x 0  ?            ?           165.412   30.1728      ?         ?            ?         ?            
1 1 1 21  5  22 x 0  ?            ?           322.145   58.3468      ?         ?            ?         ?            
1 1 1 21  3  24 x 0  ?            ?           69.5755   150.029      ?         ?            ?         ?            
1 1 1 21  3  23 x 0  ?            ?           628.345   63.4028      ?         ?            ?         ?            
1 1 1 21  1  24 x 0  ?            ?           119.442   1.98264      ?         ?            ?         ?            
1 1 1 21  1  23 x 0  ?            ?           251.882   43.9931      ?         ?            ?         ?            
1 1 1 22  16 9  x 0  ?            ?           211.353   166.896      ?         ?            ?         ?            
1 1 1 22  16 8  x 0  ?            ?           160.362   -115.248     ?         ?            ?         ?            
1 1 1 22  14 14 x 0  ?            ?           184.29    -86.3208     ?         ?            ?         ?            
1 1 1 22  12 18 x 0  ?            ?           156.111   -91.2216     ?         ?            ?         ?            
1 1 1 22  12 17 x 0  ?            ?           260.971   114.599      ?         ?            ?         ?            
1 1 1 22  12 16 x 0  ?            ?           217.521   20.4294      ?         ?            ?         ?            
1 1 1 22  10 20 x 0  ?            ?           112.755   -156.128     ?         ?            ?         ?            
1 1 1 22  10 19 x 0  ?            ?           351.418   69.3997      ?         ?            ?         ?            
1 1 1 22  10 18 x 0  ?            ?           407.157   165.53       ?         ?            ?         ?            
1 1 1 22  8  22 x 0  ?            ?           338.475   -54.896      ?         ?            ?         ?            
1 1 1 22  8  20 x 0  ?            ?           161.811   50.6747      ?         ?            ?         ?            
1 1 1 22  6  23 x 0  ?            ?           210.132   137.027      ?         ?            ?         ?            
1 1 1 22  6  22 x 0  ?            ?           133.036   -174.771     ?         ?            ?         ?            
1 1 1 22  6  21 x 0  ?            ?           181.378   45.8196      ?         ?            ?         ?            
1 1 1 22  4  24 x 0  ?            ?           223.336   -27.9888     ?         ?            ?         ?            
1 1 1 22  4  23 x 0  ?            ?           409.072   -95.8427     ?         ?            ?         ?            
1 1 1 22  4  22 x 0  ?            ?           107.398   133.312      ?         ?            ?         ?            
1 1 1 22  2  23 x 0  ?            ?           391.735   -93.6849     ?         ?            ?         ?            
1 1 1 22  0  24 x 0  ?            ?           100.403   180          ?         ?            ?         ?            
1 1 1 22  0  23 x 0  ?            ?           217.581   180          ?         ?            ?         ?            
1 1 1 23  17 2  x 0  ?            ?           196.678   95.4437      ?         ?            ?         ?            
1 1 1 23  17 1  x 0  ?            ?           89.0707   -25.9796     ?         ?            ?         ?            
1 1 1 23  15 12 x 0  ?            ?           291.493   -116.439     ?         ?            ?         ?            
1 1 1 23  15 11 x 0  ?            ?           458.418   -134.695     ?         ?            ?         ?            
1 1 1 23  15 10 x 0  ?            ?           216.653   -121.812     ?         ?            ?         ?            
1 1 1 23  13 16 x 0  ?            ?           281.732   -146.292     ?         ?            ?         ?            
1 1 1 23  13 15 x 0  ?            ?           47.7743   -93.1548     ?         ?            ?         ?            
1 1 1 23  11 19 x 0  ?            ?           124.289   171.905      ?         ?            ?         ?            
1 1 1 23  11 18 x 0  ?            ?           220.337   62.9314      ?         ?            ?         ?            
1 1 1 23  11 17 x 0  ?            ?           206.006   -21.1405     ?         ?            ?         ?            
1 1 1 23  9  21 x 0  ?            ?           48.2883   114.665      ?         ?            ?         ?            
1 1 1 23  9  20 x 0  ?            ?           329.822   80.9965      ?         ?            ?         ?            
1 1 1 23  9  19 x 0  ?            ?           213.552   64.9952      ?         ?            ?         ?            
1 1 1 23  7  22 x 0  ?            ?           124.804   76.6502      ?         ?            ?         ?            
1 1 1 23  7  21 x 0  ?            ?           154.394   52.811       ?         ?            ?         ?            
1 1 1 23  5  23 x 0  ?            ?           133.984   -178.845     ?         ?            ?         ?            
1 1 1 23  5  22 x 0  ?            ?           202.012   -163.373     ?         ?            ?         ?            
1 1 1 23  3  24 x 0  ?            ?           220.536   -133.362     ?         ?            ?         ?            
1 1 1 23  3  23 x 0  ?            ?           189.875   -85.9874     ?         ?            ?         ?            
1 1 1 23  3  22 x 0  ?            ?           199.73    -2.08379     ?         ?            ?         ?            
1 1 1 23  1  24 x 0  ?            ?           197.276   -14.9801     ?         ?            ?         ?            
1 1 1 23  1  23 x 0  ?            ?           495.744   -88.8792     ?         ?            ?         ?            
1 1 1 24  16 9  x 0  ?            ?           220.862   -117.606     ?         ?            ?         ?            
1 1 1 24  16 8  x 0  ?            ?           309.835   44.313       ?         ?            ?         ?            
1 1 1 24  16 7  x 0  ?            ?           202.072   156.72       ?         ?            ?         ?            
1 1 1 24  14 14 x 0  ?            ?           195.215   145.147      ?         ?            ?         ?            
1 1 1 24  14 13 x 0  ?            ?           306.084   147.022      ?         ?            ?         ?            
1 1 1 24  14 12 x 0  ?            ?           410.777   -150.929     ?         ?            ?         ?            
1 1 1 24  12 17 x 0  ?            ?           385.3     -124.595     ?         ?            ?         ?            
1 1 1 24  12 16 x 0  ?            ?           195.681   34.9374      ?         ?            ?         ?            
1 1 1 24  10 20 x 0  ?            ?           171.455   -172.128     ?         ?            ?         ?            
1 1 1 24  10 19 x 0  ?            ?           178.577   -111.574     ?         ?            ?         ?            
1 1 1 24  10 18 x 0  ?            ?           372.055   -105.725     ?         ?            ?         ?            
1 1 1 24  8  21 x 0  ?            ?           147.367   -1.8795      ?         ?            ?         ?            
1 1 1 24  8  20 x 0  ?            ?           110.754   -123.791     ?         ?            ?         ?            
1 1 1 24  6  23 x 0  ?            ?           72.6955   67.829       ?         ?            ?         ?            
1 1 1 24  6  22 x 0  ?            ?           133.589   0.842568     ?         ?            ?         ?            
1 1 1 24  6  21 x 0  ?            ?           236.286   -172.59      ?         ?            ?         ?            
1 1 1 24  4  24 x 0  ?            ?           110.3     -152.553     ?         ?            ?         ?            
1 1 1 24  4  23 x 0  ?            ?           458.172   89.7163      ?         ?            ?         ?            
1 1 1 24  4  22 x 0  ?            ?           253.24    -39.5608     ?         ?            ?         ?            
1 1 1 24  2  24 x 0  ?            ?           269.56    -119.511     ?         ?            ?         ?            
1 1 1 24  2  23 x 0  ?            ?           218.561   96.9717      ?         ?            ?         ?            
1 1 1 24  0  24 x 0  ?            ?           1.93206   0            ?         ?            ?         ?            
1 1 1 24  0  23 x 0  ?            ?           36.0226   180          ?         ?            ?         ?            
1 1 1 25  15 12 x 0  ?            ?           274.011   115.736      ?         ?            ?         ?            
1 1 1 25  15 11 x 0  ?            ?           312.634   63.7498      ?         ?            ?         ?            
1 1 1 25  15 10 x 0  ?            ?           236.191   -22.3698     ?         ?            ?         ?            
1 1 1 25  13 16 x 0  ?            ?           266.358   123.728      ?         ?            ?         ?            
1 1 1 25  13 15 x 0  ?            ?           362.113   -66.0284     ?         ?            ?         ?            
1 1 1 25  13 14 x 0  ?            ?           169.534   56.133       ?         ?            ?         ?            
1 1 1 25  11 19 x 0  ?            ?           207.496   -68.4606     ?         ?            ?         ?            
1 1 1 25  11 17 x 0  ?            ?           409.48    104.558      ?         ?            ?         ?            
1 1 1 25  9  21 x 0  ?            ?           19.0235   169.284      ?         ?            ?         ?            
1 1 1 25  9  20 x 0  ?            ?           248.747   -131.699     ?         ?            ?         ?            
1 1 1 25  9  19 x 0  ?            ?           175.796   -126.807     ?         ?            ?         ?            
1 1 1 25  7  22 x 0  ?            ?           176.176   135.973      ?         ?            ?         ?            
1 1 1 25  7  21 x 0  ?            ?           202.02    -62.8272     ?         ?            ?         ?            
1 1 1 25  5  23 x 0  ?            ?           104.278   -100.856     ?         ?            ?         ?            
1 1 1 25  5  22 x 0  ?            ?           108.744   96.3758      ?         ?            ?         ?            
1 1 1 25  5  21 x 0  ?            ?           105.089   61.2481      ?         ?            ?         ?            
1 1 1 25  3  23 x 0  ?            ?           244.604   148.952      ?         ?            ?         ?            
1 1 1 25  3  22 x 0  ?            ?           269.359   -171.167     ?         ?            ?         ?            
1 1 1 25  1  24 x 0  ?            ?           141.282   131.386      ?         ?            ?         ?            
1 1 1 25  1  23 x 0  ?            ?           105.02    107.703      ?         ?            ?         ?            
1 1 1 25  1  22 x 0  ?            ?           224.78    51.9415      ?         ?            ?         ?            
1 1 1 26  16 8  x 0  ?            ?           116.948   -109.029     ?         ?            ?         ?            
1 1 1 26  16 7  x 0  ?            ?           228.498   -97.5902     ?         ?            ?         ?            
1 1 1 26  16 6  x 0  ?            ?           206.114   -88.0683     ?         ?            ?         ?            
1 1 1 26  14 14 x 0  ?            ?           225.488   -47.4804     ?         ?            ?         ?            
1 1 1 26  14 13 x 0  ?            ?           202.538   -22.6604     ?         ?            ?         ?            
1 1 1 26  14 12 x 0  ?            ?           425.371   64.2879      ?         ?            ?         ?            
1 1 1 26  12 17 x 0  ?            ?           202.756   -43.1246     ?         ?            ?         ?            
1 1 1 26  12 16 x 0  ?            ?           132.218   72.1399      ?         ?            ?         ?            
1 1 1 26  12 15 x 0  ?            ?           461.865   -178.486     ?         ?            ?         ?            
1 1 1 26  10 20 x 0  ?            ?           250.67    -2.39618     ?         ?            ?         ?            
1 1 1 26  10 19 x 0  ?            ?           123.719   31.5428      ?         ?            ?         ?            
1 1 1 26  10 18 x 0  ?            ?           270.387   27.7547      ?         ?            ?         ?            
1 1 1 26  8  21 x 0  ?            ?           186.518   52.7334      ?         ?            ?         ?            
1 1 1 26  8  20 x 0  ?            ?           250.585   156.686      ?         ?            ?         ?            
1 1 1 26  6  22 x 0  ?            ?           225.931   -58.2369     ?         ?            ?         ?            
1 1 1 26  6  21 x 0  ?            ?           223.467   116.599      ?         ?            ?         ?            
1 1 1 26  4  24 x 0  ?            ?           61.4199   77.0783      ?         ?            ?         ?            
1 1 1 26  4  23 x 0  ?            ?           210.929   -4.48657     ?         ?            ?         ?            
1 1 1 26  4  22 x 0  ?            ?           352.629   42.4998      ?         ?            ?         ?            
1 1 1 26  2  24 x 0  ?            ?           139.189   141.072      ?         ?            ?         ?            
1 1 1 26  2  23 x 0  ?            ?           239.228   27.0661      ?         ?            ?         ?            
1 1 1 26  0  24 x 0  ?            ?           83.4351   0            ?         ?            ?         ?            
1 1 1 26  0  23 x 0  ?            ?           79.9521   180          ?         ?            ?         ?            
1 1 1 27  15 11 x 0  ?            ?           309.416   -59.8654     ?         ?            ?         ?            
1 1 1 27  15 10 x 0  ?            ?           266.948   -173.945     ?         ?            ?         ?            
1 1 1 27  15 9  x 0  ?            ?           274.959   -165.099     ?         ?            ?         ?            
1 1 1 27  13 16 x 0  ?            ?           240.093   -65.5364     ?         ?            ?         ?            
1 1 1 27  13 15 x 0  ?            ?           294.451   45.2402      ?         ?            ?         ?            
1 1 1 27  13 14 x 0  ?            ?           194.723   163.471      ?         ?            ?         ?            
1 1 1 27  11 18 x 0  ?            ?           206.254   16.3958      ?         ?            ?         ?            
1 1 1 27  11 17 x 0  ?            ?           214.787   -150.548     ?         ?            ?         ?            
1 1 1 27  11 16 x 0  ?            ?           261.88    128.272      ?         ?            ?         ?            
1 1 1 27  9  20 x 0  ?            ?           154.181   -8.8899      ?         ?            ?         ?            
1 1 1 27  9  19 x 0  ?            ?           82.8383   17.4818      ?         ?            ?         ?            
1 1 1 27  7  22 x 0  ?            ?           166.916   60.9726      ?         ?            ?         ?            
1 1 1 27  7  21 x 0  ?            ?           121.254   -119.923     ?         ?            ?         ?            
1 1 1 27  7  20 x 0  ?            ?           231.697   -171.217     ?         ?            ?         ?            
1 1 1 27  5  23 x 0  ?            ?           103.171   126.652      ?         ?            ?         ?            
1 1 1 27  5  22 x 0  ?            ?           216.414   -164.113     ?         ?            ?         ?            
1 1 1 27  5  21 x 0  ?            ?           123.725   176.523      ?         ?            ?         ?            
1 1 1 27  3  24 x 0  ?            ?           282.914   42.9437      ?         ?            ?         ?            
1 1 1 27  3  23 x 0  ?            ?           71.4293   -33.4166     ?         ?            ?         ?            
1 1 1 27  3  22 x 0  ?            ?           40.6781   -83.2737     ?         ?            ?         ?            
1 1 1 27  1  24 x 0  ?            ?           141.771   179.338      ?         ?            ?         ?            
1 1 1 27  1  23 x 0  ?            ?           186.266   -58.4674     ?         ?            ?         ?            
1 1 1 27  1  22 x 0  ?            ?           149.341   13.5852      ?         ?            ?         ?            
1 1 1 28  16 7  x 0  ?            ?           60.3804   68.038       ?         ?            ?         ?            
1 1 1 28  16 6  x 0  ?            ?           170.391   -122.589     ?         ?            ?         ?            
1 1 1 28  16 5  x 0  ?            ?           155.61    120.979      ?         ?            ?         ?            
1 1 1 28  14 12 x 0  ?            ?           8.20296   126.376      ?         ?            ?         ?            
1 1 1 28  14 11 x 0  ?            ?           349.107   -127.43      ?         ?            ?         ?            
1 1 1 28  12 17 x 0  ?            ?           52.4419   -92.0909     ?         ?            ?         ?            
1 1 1 28  12 16 x 0  ?            ?           22.4644   169.199      ?         ?            ?         ?            
1 1 1 28  12 15 x 0  ?            ?           249.707   -64.3753     ?         ?            ?         ?            
1 1 1 28  10 19 x 0  ?            ?           117.419   -109.3       ?         ?            ?         ?            
1 1 1 28  10 18 x 0  ?            ?           178.499   -153.9       ?         ?            ?         ?            
1 1 1 28  10 17 x 0  ?            ?           425.972   28.7473      ?         ?            ?         ?            
1 1 1 28  8  21 x 0  ?            ?           228.56    -110.296     ?         ?            ?         ?            
1 1 1 28  8  20 x 0  ?            ?           259.392   -115.325     ?         ?            ?         ?            
1 1 1 28  8  19 x 0  ?            ?           220.783   141.695      ?         ?            ?         ?            
1 1 1 28  6  23 x 0  ?            ?           58.2625   121.871      ?         ?            ?         ?            
1 1 1 28  6  22 x 0  ?            ?           130.444   130.981      ?         ?            ?         ?            
1 1 1 28  6  21 x 0  ?            ?           164.371   -138.464     ?         ?            ?         ?            
1 1 1 28  6  20 x 0  ?            ?           297.865   -78.0318     ?         ?            ?         ?            
1 1 1 28  4  23 x 0  ?            ?           259.947   -173.266     ?         ?            ?         ?            
1 1 1 28  4  22 x 0  ?            ?           96.1653   -177.956     ?         ?            ?         ?            
1 1 1 28  4  21 x 0  ?            ?           317.518   -35.5963     ?         ?            ?         ?            
1 1 1 28  2  24 x 0  ?            ?           198.709   -61.9983     ?         ?            ?         ?            
1 1 1 28  2  22 x 0  ?            ?           175.184   -157.853     ?         ?            ?         ?            
1 1 1 28  0  24 x 0  ?            ?           152.07    0            ?         ?            ?         ?            
1 1 1 28  0  23 x 0  ?            ?           192.68    0            ?         ?            ?         ?            
1 1 1 28  0  22 x 0  ?            ?           99.0851   0            ?         ?            ?         ?            
1 1 1 29  15 11 x 0  ?            ?           489.159   130.529      ?         ?            ?         ?            
1 1 1 29  15 10 x 0  ?            ?           257.339   114.574      ?         ?            ?         ?            
1 1 1 29  15 9  x 0  ?            ?           377.738   16.9458      ?         ?            ?         ?            
1 1 1 29  13 15 x 0  ?            ?           99.0111   -161.915     ?         ?            ?         ?            
1 1 1 29  13 14 x 0  ?            ?           185.573   -116.428     ?         ?            ?         ?            
1 1 1 29  13 13 x 0  ?            ?           265.999   132.98       ?         ?            ?         ?            
1 1 1 29  11 18 x 0  ?            ?           131.254   68.2952      ?         ?            ?         ?            
1 1 1 29  11 17 x 0  ?            ?           95.6816   -166.972     ?         ?            ?         ?            
1 1 1 29  11 16 x 0  ?            ?           191.131   -110.603     ?         ?            ?         ?            
1 1 1 29  9  20 x 0  ?            ?           183.477   109.037      ?         ?            ?         ?            
1 1 1 29  9  19 x 0  ?            ?           151.327   -51.2267     ?         ?            ?         ?            
1 1 1 29  9  18 x 0  ?            ?           282.9     71.2928      ?         ?            ?         ?            
1 1 1 29  7  22 x 0  ?            ?           245.41    -112.852     ?         ?            ?         ?            
1 1 1 29  7  21 x 0  ?            ?           60.9451   102.792      ?         ?            ?         ?            
1 1 1 29  7  20 x 0  ?            ?           292.192   36.7739      ?         ?            ?         ?            
1 1 1 29  5  23 x 0  ?            ?           194.944   -2.61021     ?         ?            ?         ?            
1 1 1 29  5  22 x 0  ?            ?           85.1964   -77.4541     ?         ?            ?         ?            
1 1 1 29  5  21 x 0  ?            ?           106.815   39.3639      ?         ?            ?         ?            
1 1 1 29  3  24 x 0  ?            ?           147.654   162.453      ?         ?            ?         ?            
1 1 1 29  3  23 x 0  ?            ?           122.471   -128.861     ?         ?            ?         ?            
1 1 1 29  3  22 x 0  ?            ?           255.44    -46.5184     ?         ?            ?         ?            
1 1 1 29  3  21 x 0  ?            ?           80.6206   147.176      ?         ?            ?         ?            
1 1 1 29  1  24 x 0  ?            ?           134.284   8.67005      ?         ?            ?         ?            
1 1 1 29  1  23 x 0  ?            ?           162.526   86.0632      ?         ?            ?         ?            
1 1 1 29  1  22 x 0  ?            ?           124.928   -110.119     ?         ?            ?         ?            
1 1 1 30  16 6  x 0  ?            ?           258.492   140.224      ?         ?            ?         ?            
1 1 1 30  16 5  x 0  ?            ?           345.876   -85.328      ?         ?            ?         ?            
1 1 1 30  16 4  x 0  ?            ?           355.838   -146.929     ?         ?            ?         ?            
1 1 1 30  14 13 x 0  ?            ?           32.4438   177.874      ?         ?            ?         ?            
1 1 1 30  14 12 x 0  ?            ?           279.862   88.3553      ?         ?            ?         ?            
1 1 1 30  14 11 x 0  ?            ?           229.889   -10.502      ?         ?            ?         ?            
1 1 1 30  12 17 x 0  ?            ?           255.739   39.7236      ?         ?            ?         ?            
1 1 1 30  12 16 x 0  ?            ?           187.445   -147.631     ?         ?            ?         ?            
1 1 1 30  12 15 x 0  ?            ?           93.8904   7.62413      ?         ?            ?         ?            
1 1 1 30  10 19 x 0  ?            ?           344.002   117.235      ?         ?            ?         ?            
1 1 1 30  10 18 x 0  ?            ?           79.9305   -147.507     ?         ?            ?         ?            
1 1 1 30  10 17 x 0  ?            ?           51.3732   -127.596     ?         ?            ?         ?            
1 1 1 30  8  21 x 0  ?            ?           217.831   63.0312      ?         ?            ?         ?            
1 1 1 30  8  20 x 0  ?            ?           167.423   36.1607      ?         ?            ?         ?            
1 1 1 30  8  19 x 0  ?            ?           298.096   -61.1481     ?         ?            ?         ?            
1 1 1 30  6  22 x 0  ?            ?           99.1342   -96.2097     ?         ?            ?         ?            
1 1 1 30  6  21 x 0  ?            ?           228.916   10.3058      ?         ?            ?         ?            
1 1 1 30  6  20 x 0  ?            ?           272.95    118.504      ?         ?            ?         ?            
1 1 1 30  4  23 x 0  ?            ?           126.191   -66.0776     ?         ?            ?         ?            
1 1 1 30  4  22 x 0  ?            ?           101.89    59.5236      ?         ?            ?         ?            
1 1 1 30  4  21 x 0  ?            ?           419.94    156.786      ?         ?            ?         ?            
1 1 1 30  2  24 x 0  ?            ?           82.875    175.573      ?         ?            ?         ?            
1 1 1 30  2  22 x 0  ?            ?           346.191   65.1406      ?         ?            ?         ?            
1 1 1 30  0  24 x 0  ?            ?           71.2278   0            ?         ?            ?         ?            
1 1 1 30  0  23 x 0  ?            ?           228.691   180          ?         ?            ?         ?            
1 1 1 30  0  22 x 0  ?            ?           373.972   180          ?         ?            ?         ?            
1 1 1 31  15 10 x 0  ?            ?           256.584   -124.803     ?         ?            ?         ?            
1 1 1 31  15 9  x 0  ?            ?           112.621   46.7809      ?         ?            ?         ?            
1 1 1 31  15 8  x 0  ?            ?           119.426   142.356      ?         ?            ?         ?            
1 1 1 31  13 14 x 0  ?            ?           316.768   24.1674      ?         ?            ?         ?            
1 1 1 31  13 13 x 0  ?            ?           197.171   13.6296      ?         ?            ?         ?            
1 1 1 31  11 18 x 0  ?            ?           145.333   -8.67313     ?         ?            ?         ?            
1 1 1 31  11 17 x 0  ?            ?           219.172   -94.342      ?         ?            ?         ?            
1 1 1 31  11 16 x 0  ?            ?           242.548   90.8008      ?         ?            ?         ?            
1 1 1 31  9  20 x 0  ?            ?           241.682   0.802342     ?         ?            ?         ?            
1 1 1 31  9  19 x 0  ?            ?           90.4772   -0.748581    ?         ?            ?         ?            
1 1 1 31  9  18 x 0  ?            ?           163.755   79.0815      ?         ?            ?         ?            
1 1 1 31  7  22 x 0  ?            ?           289.736   31.2434      ?         ?            ?         ?            
1 1 1 31  7  21 x 0  ?            ?           185.078   104.522      ?         ?            ?         ?            
1 1 1 31  7  20 x 0  ?            ?           354.906   -119.873     ?         ?            ?         ?            
1 1 1 31  7  19 x 0  ?            ?           355.474   114.837      ?         ?            ?         ?            
1 1 1 31  5  23 x 0  ?            ?           117.976   -99.3583     ?         ?            ?         ?            
1 1 1 31  5  22 x 0  ?            ?           194.727   165.24       ?         ?            ?         ?            
1 1 1 31  5  21 x 0  ?            ?           89.6956   38.4958      ?         ?            ?         ?            
1 1 1 31  5  20 x 0  ?            ?           381.279   -5.87542     ?         ?            ?         ?            
1 1 1 31  3  23 x 0  ?            ?           220.203   45.3436      ?         ?            ?         ?            
1 1 1 31  3  22 x 0  ?            ?           146.884   129.603      ?         ?            ?         ?            
1 1 1 31  3  21 x 0  ?            ?           268.378   -14.9634     ?         ?            ?         ?            
1 1 1 31  1  24 x 0  ?            ?           313.668   -135.761     ?         ?            ?         ?            
1 1 1 31  1  22 x 0  ?            ?           474.518   -1.52182     ?         ?            ?         ?            
1 1 1 31  1  21 x 0  ?            ?           193.629   45.8299      ?         ?            ?         ?            
1 1 1 32  16 5  x 0  ?            ?           139.096   6.13777      ?         ?            ?         ?            
1 1 1 32  16 4  x 0  ?            ?           313.753   51.2561      ?         ?            ?         ?            
1 1 1 32  16 3  x 0  ?            ?           64.3279   56.8198      ?         ?            ?         ?            
1 1 1 32  14 13 x 0  ?            ?           85.6443   136.398      ?         ?            ?         ?            
1 1 1 32  14 12 x 0  ?            ?           220.701   -93.3146     ?         ?            ?         ?            
1 1 1 32  14 11 x 0  ?            ?           229.958   168.127      ?         ?            ?         ?            
1 1 1 32  14 10 x 0  ?            ?           262.716   -84.0222     ?         ?            ?         ?            
1 1 1 32  12 16 x 0  ?            ?           192.768   -122.256     ?         ?            ?         ?            
1 1 1 32  12 14 x 0  ?            ?           126.263   15.462       ?         ?            ?         ?            
1 1 1 32  10 19 x 0  ?            ?           199.266   -92.4949     ?         ?            ?         ?            
1 1 1 32  10 18 x 0  ?            ?           203.759   168.223      ?         ?            ?         ?            
1 1 1 32  10 17 x 0  ?            ?           108.806   169.559      ?         ?            ?         ?            
1 1 1 32  8  21 x 0  ?            ?           232.003   -121.991     ?         ?            ?         ?            
1 1 1 32  8  20 x 0  ?            ?           125.244   49.0377      ?         ?            ?         ?            
1 1 1 32  8  19 x 0  ?            ?           316.005   163.523      ?         ?            ?         ?            
1 1 1 32  8  18 x 0  ?            ?           114.998   -154.181     ?         ?            ?         ?            
1 1 1 32  6  22 x 0  ?            ?           118.749   102.826      ?         ?            ?         ?            
1 1 1 32  6  21 x 0  ?            ?           153.536   -58.8869     ?         ?            ?         ?            
1 1 1 32  6  20 x 0  ?            ?           144.947   -140.081     ?         ?            ?         ?            
1 1 1 32  4  23 x 0  ?            ?           149.262   112.566      ?         ?            ?         ?            
1 1 1 32  4  22 x 0  ?            ?           149.745   -51.6598     ?         ?            ?         ?            
1 1 1 32  4  21 x 0  ?            ?           238.277   -68.72       ?         ?            ?         ?            
1 1 1 32  2  24 x 0  ?            ?           343.873   40.7665      ?         ?            ?         ?            
1 1 1 32  2  22 x 0  ?            ?           307.253   167.071      ?         ?            ?         ?            
1 1 1 32  0  24 x 0  ?            ?           183.544   180          ?         ?            ?         ?            
1 1 1 32  0  23 x 0  ?            ?           355.827   0            ?         ?            ?         ?            
1 1 1 32  0  22 x 0  ?            ?           174.173   180          ?         ?            ?         ?            
1 1 1 32  0  21 x 0  ?            ?           424.143   0            ?         ?            ?         ?            
1 1 1 33  15 10 x 0  ?            ?           229.841   46.2235      ?         ?            ?         ?            
1 1 1 33  15 9  x 0  ?            ?           426.107   -120.047     ?         ?            ?         ?            
1 1 1 33  15 8  x 0  ?            ?           158.277   -86.9509     ?         ?            ?         ?            
1 1 1 33  15 7  x 0  ?            ?           64.4832   -36.2757     ?         ?            ?         ?            
1 1 1 33  13 15 x 0  ?            ?           105.258   -91.9679     ?         ?            ?         ?            
1 1 1 33  13 14 x 0  ?            ?           165.03    -155.714     ?         ?            ?         ?            
1 1 1 33  13 13 x 0  ?            ?           272.028   -124.863     ?         ?            ?         ?            
1 1 1 33  13 12 x 0  ?            ?           244.408   153.48       ?         ?            ?         ?            
1 1 1 33  11 18 x 0  ?            ?           168.046   -164.34      ?         ?            ?         ?            
1 1 1 33  11 17 x 0  ?            ?           16.9718   -51.8547     ?         ?            ?         ?            
1 1 1 33  11 16 x 0  ?            ?           211.939   0.852941     ?         ?            ?         ?            
1 1 1 33  11 15 x 0  ?            ?           36.0214   45.4748      ?         ?            ?         ?            
1 1 1 33  9  19 x 0  ?            ?           127.36    -178.662     ?         ?            ?         ?            
1 1 1 33  9  18 x 0  ?            ?           200.035   17.1639      ?         ?            ?         ?            
1 1 1 33  9  17 x 0  ?            ?           77.2872   92.8777      ?         ?            ?         ?            
1 1 1 33  7  21 x 0  ?            ?           86.6208   -82.9749     ?         ?            ?         ?            
1 1 1 33  7  20 x 0  ?            ?           127.365   -117.584     ?         ?            ?         ?            
1 1 1 33  7  19 x 0  ?            ?           184.4     57.55        ?         ?            ?         ?            
1 1 1 33  5  23 x 0  ?            ?           131.289   99.1663      ?         ?            ?         ?            
1 1 1 33  5  22 x 0  ?            ?           237.786   -23.4518     ?         ?            ?         ?            
1 1 1 33  5  21 x 0  ?            ?           249.919   -141.992     ?         ?            ?         ?            
1 1 1 33  5  20 x 0  ?            ?           261.683   177.633      ?         ?            ?         ?            
1 1 1 33  3  23 x 0  ?            ?           194.853   -88.9552     ?         ?            ?         ?            
1 1 1 33  3  22 x 0  ?            ?           194.376   -103.921     ?         ?            ?         ?            
1 1 1 33  3  21 x 0  ?            ?           213.263   172.41       ?         ?            ?         ?            
1 1 1 33  1  24 x 0  ?            ?           222.236   -8.80574     ?         ?            ?         ?            
1 1 1 33  1  23 x 0  ?            ?           327.411   132.942      ?         ?            ?         ?            
1 1 1 33  1  22 x 0  ?            ?           316.366   -151.088     ?         ?            ?         ?            
1 1 1 34  16 4  x 0  ?            ?           284.789   155.696      ?         ?            ?         ?            
1 1 1 34  16 3  x 0  ?            ?           64.8561   -143.724     ?         ?            ?         ?            
1 1 1 34  16 2  x 0  ?            ?           132.845   85.5461      ?         ?            ?         ?            
1 1 1 34  16 1  x 0  ?            ?           191.863   -83.1629     ?         ?            ?         ?            
1 1 1 34  14 12 x 0  ?            ?           27.7365   -123.579     ?         ?            ?         ?            
1 1 1 34  14 11 x 0  ?            ?           130.867   18.6053      ?         ?            ?         ?            
1 1 1 34  14 10 x 0  ?            ?           420.651   -172.289     ?         ?            ?         ?            
1 1 1 34  12 16 x 0  ?            ?           104.478   45.5704      ?         ?            ?         ?            
1 1 1 34  12 15 x 0  ?            ?           295.248   -178.466     ?         ?            ?         ?            
1 1 1 34  10 19 x 0  ?            ?           99.4411   -1.83644     ?         ?            ?         ?            
1 1 1 34  10 18 x 0  ?            ?           101.776   12.6392      ?         ?            ?         ?            
1 1 1 34  10 17 x 0  ?            ?           107.996   -64.4633     ?         ?            ?         ?            
1 1 1 34  10 16 x 0  ?            ?           224.328   164.961      ?         ?            ?         ?            
1 1 1 34  8  21 x 0  ?            ?           175.732   126.148      ?         ?            ?         ?            
1 1 1 34  8  20 x 0  ?            ?           32.925    -22.502      ?         ?            ?         ?            
1 1 1 34  8  19 x 0  ?            ?           227.138   -16.8137     ?         ?            ?         ?            
1 1 1 34  8  18 x 0  ?            ?           273.267   12.0891      ?         ?            ?         ?            
1 1 1 34  6  22 x 0  ?            ?           127.237   173.122      ?         ?            ?         ?            
1 1 1 34  6  21 x 0  ?            ?           102.735   74.1534      ?         ?            ?         ?            
1 1 1 34  6  20 x 0  ?            ?           259.917   28.0421      ?         ?            ?         ?            
1 1 1 34  6  19 x 0  ?            ?           420.483   101.195      ?         ?            ?         ?            
1 1 1 34  4  23 x 0  ?            ?           91.1808   -128.211     ?         ?            ?         ?            
1 1 1 34  4  22 x 0  ?            ?           174.584   163.878      ?         ?            ?         ?            
1 1 1 34  4  21 x 0  ?            ?           479.118   50.8174      ?         ?            ?         ?            
1 1 1 34  4  20 x 0  ?            ?           195.032   -27.271      ?         ?            ?         ?            
1 1 1 34  2  22 x 0  ?            ?           328.894   -12.7446     ?         ?            ?         ?            
1 1 1 34  2  21 x 0  ?            ?           48.5024   151.019      ?         ?            ?         ?            
1 1 1 34  0  23 x 0  ?            ?           71.6839   180          ?         ?            ?         ?            
1 1 1 34  0  22 x 0  ?            ?           294.896   0            ?         ?            ?         ?            
1 1 1 34  0  21 x 0  ?            ?           222.106   180          ?         ?            ?         ?            
1 1 1 35  15 9  x 0  ?            ?           197.944   104.158      ?         ?            ?         ?            
1 1 1 35  15 8  x 0  ?            ?           166.387   17.3472      ?         ?            ?         ?            
1 1 1 35  15 7  x 0  ?            ?           114.272   178.157      ?         ?            ?         ?            
1 1 1 35  15 6  x 0  ?            ?           381.743   153.165      ?         ?            ?         ?            
1 1 1 35  13 14 x 0  ?            ?           153.595   166.641      ?         ?            ?         ?            
1 1 1 35  13 13 x 0  ?            ?           88.5622   71.5051      ?         ?            ?         ?            
1 1 1 35  13 12 x 0  ?            ?           81.9804   36.2626      ?         ?            ?         ?            
1 1 1 35  13 11 x 0  ?            ?           230.114   1.34224      ?         ?            ?         ?            
1 1 1 35  11 17 x 0  ?            ?           174.77    114.63       ?         ?            ?         ?            
1 1 1 35  11 15 x 0  ?            ?           173.049   69.2729      ?         ?            ?         ?            
1 1 1 35  9  20 x 0  ?            ?           233.156   23.6437      ?         ?            ?         ?            
1 1 1 35  9  19 x 0  ?            ?           91.7696   -61.7529     ?         ?            ?         ?            
1 1 1 35  9  18 x 0  ?            ?           254.554   -162.171     ?         ?            ?         ?            
1 1 1 35  9  17 x 0  ?            ?           183.581   146.518      ?         ?            ?         ?            
1 1 1 35  7  21 x 0  ?            ?           55.605    -15.3134     ?         ?            ?         ?            
1 1 1 35  7  20 x 0  ?            ?           275.523   55.0746      ?         ?            ?         ?            
1 1 1 35  7  19 x 0  ?            ?           434.254   -44.7078     ?         ?            ?         ?            
1 1 1 35  7  18 x 0  ?            ?           124.591   -164.475     ?         ?            ?         ?            
1 1 1 35  5  22 x 0  ?            ?           129.067   -23.0207     ?         ?            ?         ?            
1 1 1 35  5  21 x 0  ?            ?           71.9959   27.5457      ?         ?            ?         ?            
1 1 1 35  5  20 x 0  ?            ?           196.196   164.383      ?         ?            ?         ?            
1 1 1 35  3  23 x 0  ?            ?           273.86    46.1685      ?         ?            ?         ?            
1 1 1 35  3  22 x 0  ?            ?           132.397   27.048       ?         ?            ?         ?            
1 1 1 35  3  21 x 0  ?            ?           183.403   -154.204     ?         ?            ?         ?            
1 1 1 35  3  20 x 0  ?            ?           94.4737   -157.256     ?         ?            ?         ?            
1 1 1 35  1  23 x 0  ?            ?           128.769   -54.4883     ?         ?            ?         ?            
1 1 1 35  1  21 x 0  ?            ?           92.9758   117.117      ?         ?            ?         ?            
1 1 1 36  14 12 x 0  ?            ?           188.029   -7.7184      ?         ?            ?         ?            
1 1 1 36  14 11 x 0  ?            ?           129.95    -134.784     ?         ?            ?         ?            
1 1 1 36  14 10 x 0  ?            ?           147.536   32.2407      ?         ?            ?         ?            
1 1 1 36  14 9  x 0  ?            ?           206.743   -110.667     ?         ?            ?         ?            
1 1 1 36  12 16 x 0  ?            ?           147.024   76.6146      ?         ?            ?         ?            
1 1 1 36  12 15 x 0  ?            ?           216.588   -145.399     ?         ?            ?         ?            
1 1 1 36  12 14 x 0  ?            ?           414.217   47.4661      ?         ?            ?         ?            
1 1 1 36  12 13 x 0  ?            ?           297.112   -6.14983     ?         ?            ?         ?            
1 1 1 36  10 19 x 0  ?            ?           62.7874   17.1037      ?         ?            ?         ?            
1 1 1 36  10 18 x 0  ?            ?           128.576   67.6008      ?         ?            ?         ?            
1 1 1 36  10 17 x 0  ?            ?           131.662   -36.0856     ?         ?            ?         ?            
1 1 1 36  10 16 x 0  ?            ?           15.347    123.508      ?         ?            ?         ?            
1 1 1 36  8  20 x 0  ?            ?           77.5012   -111.586     ?         ?            ?         ?            
1 1 1 36  8  19 x 0  ?            ?           147.259   111.969      ?         ?            ?         ?            
1 1 1 36  8  18 x 0  ?            ?           198.232   90.0019      ?         ?            ?         ?            
1 1 1 36  6  22 x 0  ?            ?           77.9841   40.9309      ?         ?            ?         ?            
1 1 1 36  6  21 x 0  ?            ?           212.714   176.021      ?         ?            ?         ?            
1 1 1 36  6  20 x 0  ?            ?           353.612   -93.3451     ?         ?            ?         ?            
1 1 1 36  6  19 x 0  ?            ?           214.225   -164.741     ?         ?            ?         ?            
1 1 1 36  4  23 x 0  ?            ?           90.9862   61.1579      ?         ?            ?         ?            
1 1 1 36  4  22 x 0  ?            ?           113.461   159.702      ?         ?            ?         ?            
1 1 1 36  4  21 x 0  ?            ?           335.928   -157.905     ?         ?            ?         ?            
1 1 1 36  4  20 x 0  ?            ?           33.2995   4.62029      ?         ?            ?         ?            
1 1 1 36  2  23 x 0  ?            ?           144.682   18.8618      ?         ?            ?         ?            
1 1 1 36  2  21 x 0  ?            ?           193.224   22.4757      ?         ?            ?         ?            
1 1 1 36  2  20 x 0  ?            ?           244.517   67.3586      ?         ?            ?         ?            
1 1 1 36  0  23 x 0  ?            ?           42.7554   0            ?         ?            ?         ?            
1 1 1 36  0  22 x 0  ?            ?           132.785   0            ?         ?            ?         ?            
1 1 1 36  0  21 x 0  ?            ?           135.312   180          ?         ?            ?         ?            
1 1 1 37  15 8  x 0  ?            ?           123.561   -19.9236     ?         ?            ?         ?            
1 1 1 37  15 7  x 0  ?            ?           56.713    21.1247      ?         ?            ?         ?            
1 1 1 37  15 6  x 0  ?            ?           431.066   -69.0894     ?         ?            ?         ?            
1 1 1 37  15 5  x 0  ?            ?           228.442   -79.6392     ?         ?            ?         ?            
1 1 1 37  13 14 x 0  ?            ?           157.98    -113.364     ?         ?            ?         ?            
1 1 1 37  13 13 x 0  ?            ?           62.06     13.263       ?         ?            ?         ?            
1 1 1 37  13 12 x 0  ?            ?           328.998   -172.405     ?         ?            ?         ?            
1 1 1 37  13 11 x 0  ?            ?           328.865   111.582      ?         ?            ?         ?            
1 1 1 37  11 17 x 0  ?            ?           198.99    -13.5524     ?         ?            ?         ?            
1 1 1 37  11 16 x 0  ?            ?           144.446   59.628       ?         ?            ?         ?            
1 1 1 37  11 15 x 0  ?            ?           62.4983   -173.284     ?         ?            ?         ?            
1 1 1 37  11 14 x 0  ?            ?           276.01    -65.3619     ?         ?            ?         ?            
1 1 1 37  9  19 x 0  ?            ?           106.886   126.726      ?         ?            ?         ?            
1 1 1 37  9  18 x 0  ?            ?           22.2281   77.2246      ?         ?            ?         ?            
1 1 1 37  9  17 x 0  ?            ?           155.41    -89.9407     ?         ?            ?         ?            
1 1 1 37  9  16 x 0  ?            ?           195.315   151.975      ?         ?            ?         ?            
1 1 1 37  7  21 x 0  ?            ?           334.542   -86.574      ?         ?            ?         ?            
1 1 1 37  7  20 x 0  ?            ?           74.959    93.9328      ?         ?            ?         ?            
1 1 1 37  7  19 x 0  ?            ?           328.689   -159.456     ?         ?            ?         ?            
1 1 1 37  7  18 x 0  ?            ?           274.394   112.144      ?         ?            ?         ?            
1 1 1 37  5  22 x 0  ?            ?           39.7599   24.4019      ?         ?            ?         ?            
1 1 1 37  5  21 x 0  ?            ?           154.079   24.689       ?         ?            ?         ?            
1 1 1 37  5  19 x 0  ?            ?           177.838   -104.977     ?         ?            ?         ?            
1 1 1 37  3  23 x 0  ?            ?           240.923   -132.4       ?         ?            ?         ?            
1 1 1 37  3  22 x 0  ?            ?           99.2065   163.433      ?         ?            ?         ?            
1 1 1 37  3  21 x 0  ?            ?           277.169   97.2993      ?         ?            ?         ?            
1 1 1 37  3  20 x 0  ?            ?           237.558   -65.6204     ?         ?            ?         ?            
1 1 1 37  1  23 x 0  ?            ?           121.164   -165.156     ?         ?            ?         ?            
1 1 1 37  1  21 x 0  ?            ?           196.383   -61.491      ?         ?            ?         ?            
1 1 1 37  1  20 x 0  ?            ?           286.743   -7.34788     ?         ?            ?         ?            
1 1 1 38  14 11 x 0  ?            ?           67.8677   112.781      ?         ?            ?         ?            
1 1 1 38  14 10 x 0  ?            ?           351.191   -6.51224     ?         ?            ?         ?            
1 1 1 38  14 9  x 0  ?            ?           272.974   -162.798     ?         ?            ?         ?            
1 1 1 38  14 8  x 0  ?            ?           88.8622   -85.0176     ?         ?            ?         ?            
1 1 1 38  12 15 x 0  ?            ?           342.698   30.3133      ?         ?            ?         ?            
1 1 1 38  12 14 x 0  ?            ?           145.204   -109.159     ?         ?            ?         ?            
1 1 1 38  12 13 x 0  ?            ?           477.33    -165.966     ?         ?            ?         ?            
1 1 1 38  12 12 x 0  ?            ?           343.431   92.9062      ?         ?            ?         ?            
1 1 1 38  10 18 x 0  ?            ?           77.0345   -55.9177     ?         ?            ?         ?            
1 1 1 38  10 17 x 0  ?            ?           290.106   136.284      ?         ?            ?         ?            
1 1 1 38  10 16 x 0  ?            ?           178.399   -43.5985     ?         ?            ?         ?            
1 1 1 38  10 15 x 0  ?            ?           49.2089   -115.666     ?         ?            ?         ?            
1 1 1 38  8  20 x 0  ?            ?           256.661   -122.46      ?         ?            ?         ?            
1 1 1 38  8  19 x 0  ?            ?           126.224   20.6931      ?         ?            ?         ?            
1 1 1 38  8  18 x 0  ?            ?           249.845   -113.91      ?         ?            ?         ?            
1 1 1 38  8  17 x 0  ?            ?           336.52    94.0267      ?         ?            ?         ?            
1 1 1 38  6  22 x 0  ?            ?           88.1886   -74.2853     ?         ?            ?         ?            
1 1 1 38  6  20 x 0  ?            ?           116.035   97.1764      ?         ?            ?         ?            
1 1 1 38  6  19 x 0  ?            ?           220.977   43.7755      ?         ?            ?         ?            
1 1 1 38  6  18 x 0  ?            ?           305.417   -63.4305     ?         ?            ?         ?            
1 1 1 38  4  22 x 0  ?            ?           65.5022   -92.44       ?         ?            ?         ?            
1 1 1 38  4  21 x 0  ?            ?           248.14    -72.9789     ?         ?            ?         ?            
1 1 1 38  4  20 x 0  ?            ?           152.237   19.0522      ?         ?            ?         ?            
1 1 1 38  4  19 x 0  ?            ?           170.799   41.3973      ?         ?            ?         ?            
1 1 1 38  2  23 x 0  ?            ?           29.5612   -153.188     ?         ?            ?         ?            
1 1 1 38  2  22 x 0  ?            ?           135.418   43.5844      ?         ?            ?         ?            
1 1 1 38  2  21 x 0  ?            ?           114.696   -99.4704     ?         ?            ?         ?            
1 1 1 38  2  20 x 0  ?            ?           109.43    165.238      ?         ?            ?         ?            
1 1 1 38  0  23 x 0  ?            ?           73.4112   0            ?         ?            ?         ?            
1 1 1 38  0  22 x 0  ?            ?           268.431   180          ?         ?            ?         ?            
1 1 1 38  0  21 x 0  ?            ?           199.876   180          ?         ?            ?         ?            
1 1 1 38  0  20 x 0  ?            ?           53.8214   180          ?         ?            ?         ?            
1 1 1 39  15 7  x 0  ?            ?           323.914   92.8666      ?         ?            ?         ?            
1 1 1 39  15 6  x 0  ?            ?           236.032   114.47       ?         ?            ?         ?            
1 1 1 39  15 5  x 0  ?            ?           128.547   -136.496     ?         ?            ?         ?            
1 1 1 39  15 4  x 0  ?            ?           445.688   -178.128     ?         ?            ?         ?            
1 1 1 39  13 13 x 0  ?            ?           36.9541   -2.95658     ?         ?            ?         ?            
1 1 1 39  13 11 x 0  ?            ?           292.548   -35.9739     ?         ?            ?         ?            
1 1 1 39  13 10 x 0  ?            ?           139.163   -55.8261     ?         ?            ?         ?            
1 1 1 39  11 17 x 0  ?            ?           347.038   -100.884     ?         ?            ?         ?            
1 1 1 39  11 16 x 0  ?            ?           171.556   152.096      ?         ?            ?         ?            
1 1 1 39  11 15 x 0  ?            ?           224.683   -86.3783     ?         ?            ?         ?            
1 1 1 39  11 14 x 0  ?            ?           314.762   147.691      ?         ?            ?         ?            
1 1 1 39  9  19 x 0  ?            ?           115.945   -113.517     ?         ?            ?         ?            
1 1 1 39  9  18 x 0  ?            ?           192.754   -4.26979     ?         ?            ?         ?            
1 1 1 39  9  17 x 0  ?            ?           73.7433   -14.8796     ?         ?            ?         ?            
1 1 1 39  9  16 x 0  ?            ?           167.434   105.469      ?         ?            ?         ?            
1 1 1 39  7  21 x 0  ?            ?           180.215   112.86       ?         ?            ?         ?            
1 1 1 39  7  20 x 0  ?            ?           40.3185   -15.2127     ?         ?            ?         ?            
1 1 1 39  7  19 x 0  ?            ?           135.721   22.7479      ?         ?            ?         ?            
1 1 1 39  7  18 x 0  ?            ?           175.664   10.1585      ?         ?            ?         ?            
1 1 1 39  5  22 x 0  ?            ?           20.0364   -162.454     ?         ?            ?         ?            
1 1 1 39  5  21 x 0  ?            ?           159.571   97.7576      ?         ?            ?         ?            
1 1 1 39  5  20 x 0  ?            ?           227.166   19.7295      ?         ?            ?         ?            
1 1 1 39  5  19 x 0  ?            ?           143.229   -148.372     ?         ?            ?         ?            
1 1 1 39  3  23 x 0  ?            ?           104.352   149.103      ?         ?            ?         ?            
1 1 1 39  3  22 x 0  ?            ?           123.141   -81.6338     ?         ?            ?         ?            
1 1 1 39  3  21 x 0  ?            ?           195.964   -35.8008     ?         ?            ?         ?            
1 1 1 39  3  20 x 0  ?            ?           128.311   -115.668     ?         ?            ?         ?            
1 1 1 39  3  19 x 0  ?            ?           264.134   118.848      ?         ?            ?         ?            
1 1 1 39  1  23 x 0  ?            ?           163.527   -0.719816    ?         ?            ?         ?            
1 1 1 39  1  22 x 0  ?            ?           269.235   -27.0763     ?         ?            ?         ?            
1 1 1 39  1  21 x 0  ?            ?           21.9052   -30.6383     ?         ?            ?         ?            
1 1 1 39  1  20 x 0  ?            ?           215.042   -150.114     ?         ?            ?         ?            
1 1 1 40  14 11 x 0  ?            ?           191.556   171.442      ?         ?            ?         ?            
1 1 1 40  14 10 x 0  ?            ?           236.914   -142.422     ?         ?            ?         ?            
1 1 1 40  14 9  x 0  ?            ?           394.153   74.6781      ?         ?            ?         ?            
1 1 1 40  14 8  x 0  ?            ?           93.9732   129.332      ?         ?            ?         ?            
1 1 1 40  14 7  x 0  ?            ?           164.618   110.725      ?         ?            ?         ?            
1 1 1 40  12 15 x 0  ?            ?           79.5427   -174.221     ?         ?            ?         ?            
1 1 1 40  12 14 x 0  ?            ?           103.98    -153.457     ?         ?            ?         ?            
1 1 1 40  12 13 x 0  ?            ?           271.735   15.3605      ?         ?            ?         ?            
1 1 1 40  12 12 x 0  ?            ?           466.613   -60.7692     ?         ?            ?         ?            
1 1 1 40  10 18 x 0  ?            ?           161.352   156.651      ?         ?            ?         ?            
1 1 1 40  10 17 x 0  ?            ?           129.313   92.2274      ?         ?            ?         ?            
1 1 1 40  10 16 x 0  ?            ?           179.502   -108.659     ?         ?            ?         ?            
1 1 1 40  8  20 x 0  ?            ?           160.949   98.3869      ?         ?            ?         ?            
1 1 1 40  8  19 x 0  ?            ?           142.82    -1.0187      ?         ?            ?         ?            
1 1 1 40  8  18 x 0  ?            ?           14.4399   -1.28777     ?         ?            ?         ?            
1 1 1 40  8  17 x 0  ?            ?           115.883   -115.035     ?         ?            ?         ?            
1 1 1 40  6  21 x 0  ?            ?           306.941   -81.4499     ?         ?            ?         ?            
1 1 1 40  6  20 x 0  ?            ?           175.061   -168.721     ?         ?            ?         ?            
1 1 1 40  6  19 x 0  ?            ?           325.977   -41.9465     ?         ?            ?         ?            
1 1 1 40  6  18 x 0  ?            ?           406.825   141.05       ?         ?            ?         ?            
1 1 1 40  4  22 x 0  ?            ?           310.699   81.5565      ?         ?            ?         ?            
1 1 1 40  4  21 x 0  ?            ?           46.0579   62.0544      ?         ?            ?         ?            
1 1 1 40  4  19 x 0  ?            ?           157.02    -128.489     ?         ?            ?         ?            
1 1 1 40  2  23 x 0  ?            ?           104.271   175.356      ?         ?            ?         ?            
1 1 1 40  2  22 x 0  ?            ?           39.1803   152.761      ?         ?            ?         ?            
1 1 1 40  2  21 x 0  ?            ?           164.922   90.0386      ?         ?            ?         ?            
1 1 1 40  2  20 x 0  ?            ?           357.167   63.1382      ?         ?            ?         ?            
1 1 1 40  2  19 x 0  ?            ?           183.924   59.2945      ?         ?            ?         ?            
1 1 1 40  0  23 x 0  ?            ?           292.321   180          ?         ?            ?         ?            
1 1 1 40  0  22 x 0  ?            ?           81.319    0            ?         ?            ?         ?            
1 1 1 40  0  21 x 0  ?            ?           302.434   0            ?         ?            ?         ?            
1 1 1 40  0  20 x 0  ?            ?           63.8772   0            ?         ?            ?         ?            
1 1 1 41  15 6  x 0  ?            ?           338.145   -26.5088     ?         ?            ?         ?            
1 1 1 41  15 5  x 0  ?            ?           100.587   18.3601      ?         ?            ?         ?            
1 1 1 41  15 4  x 0  ?            ?           209.263   -83.9373     ?         ?            ?         ?            
1 1 1 41  15 3  x 0  ?            ?           311.026   15.2325      ?         ?            ?         ?            
1 1 1 41  15 2  x 0  ?            ?           202.498   0.310039     ?         ?            ?         ?            
1 1 1 41  13 13 x 0  ?            ?           143.441   -75.0044     ?         ?            ?         ?            
1 1 1 41  13 12 x 0  ?            ?           28.4987   138.318      ?         ?            ?         ?            
1 1 1 41  13 11 x 0  ?            ?           280.344   119.103      ?         ?            ?         ?            
1 1 1 41  13 10 x 0  ?            ?           281.425   99.5152      ?         ?            ?         ?            
1 1 1 41  13 9  x 0  ?            ?           371.513   -105.905     ?         ?            ?         ?            
1 1 1 41  11 16 x 0  ?            ?           383.782   30.9482      ?         ?            ?         ?            
1 1 1 41  11 15 x 0  ?            ?           222.789   -68.5301     ?         ?            ?         ?            
1 1 1 41  11 14 x 0  ?            ?           325.769   32.2259      ?         ?            ?         ?            
1 1 1 41  11 13 x 0  ?            ?           203.98    -27.3305     ?         ?            ?         ?            
1 1 1 41  9  19 x 0  ?            ?           183.092   164.3        ?         ?            ?         ?            
1 1 1 41  9  18 x 0  ?            ?           210.037   -155.903     ?         ?            ?         ?            
1 1 1 41  9  17 x 0  ?            ?           166.141   -69.6564     ?         ?            ?         ?            
1 1 1 41  9  16 x 0  ?            ?           344.359   35.2545      ?         ?            ?         ?            
1 1 1 41  9  15 x 0  ?            ?           237.649   145.291      ?         ?            ?         ?            
1 1 1 41  7  21 x 0  ?            ?           130.569   21.1814      ?         ?            ?         ?            
1 1 1 41  7  20 x 0  ?            ?           184.601   -56.8529     ?         ?            ?         ?            
1 1 1 41  7  19 x 0  ?            ?           448.555   153.447      ?         ?            ?         ?            
1 1 1 41  7  18 x 0  ?            ?           420.821   -127.629     ?         ?            ?         ?            
1 1 1 41  7  17 x 0  ?            ?           157.66    58.3438      ?         ?            ?         ?            
1 1 1 41  5  22 x 0  ?            ?           129.635   -116.57      ?         ?            ?         ?            
1 1 1 41  5  21 x 0  ?            ?           238.542   -151.407     ?         ?            ?         ?            
1 1 1 41  5  20 x 0  ?            ?           213.873   -59.3508     ?         ?            ?         ?            
1 1 1 41  5  19 x 0  ?            ?           278.647   85.6376      ?         ?            ?         ?            
1 1 1 41  5  18 x 0  ?            ?           281.108   -51.1375     ?         ?            ?         ?            
1 1 1 41  3  22 x 0  ?            ?           69.175    25.8733      ?         ?            ?         ?            
1 1 1 41  3  21 x 0  ?            ?           245.092   152.551      ?         ?            ?         ?            
1 1 1 41  3  20 x 0  ?            ?           91.6918   58.9172      ?         ?            ?         ?            
1 1 1 41  3  19 x 0  ?            ?           179.957   178.182      ?         ?            ?         ?            
1 1 1 41  1  23 x 0  ?            ?           204.834   87.1301      ?         ?            ?         ?            
1 1 1 41  1  22 x 0  ?            ?           212.944   -179.234     ?         ?            ?         ?            
1 1 1 41  1  21 x 0  ?            ?           93.1906   -137.651     ?         ?            ?         ?            
1 1 1 41  1  20 x 0  ?            ?           160.136   17.9761      ?         ?            ?         ?            
1 1 1 41  1  19 x 0  ?            ?           150.917   -58.3349     ?         ?            ?         ?            
1 1 1 42  14 10 x 0  ?            ?           165.471   84.4197      ?         ?            ?         ?            
1 1 1 42  14 9  x 0  ?            ?           23.5328   46.1309      ?         ?            ?         ?            
1 1 1 42  14 8  x 0  ?            ?           253.53    -91.8886     ?         ?            ?         ?            
1 1 1 42  14 7  x 0  ?            ?           149.597   -55.3642     ?         ?            ?         ?            
1 1 1 42  14 6  x 0  ?            ?           370.192   -97.2016     ?         ?            ?         ?            
1 1 1 42  12 15 x 0  ?            ?           162.924   33.971       ?         ?            ?         ?            
1 1 1 42  12 14 x 0  ?            ?           68.5754   -97.9401     ?         ?            ?         ?            
1 1 1 42  12 13 x 0  ?            ?           227.986   177.982      ?         ?            ?         ?            
1 1 1 42  12 12 x 0  ?            ?           370.649   164.987      ?         ?            ?         ?            
1 1 1 42  12 11 x 0  ?            ?           141.262   75.0784      ?         ?            ?         ?            
1 1 1 42  10 18 x 0  ?            ?           86.8321   -21.5592     ?         ?            ?         ?            
1 1 1 42  10 17 x 0  ?            ?           184.201   -8.7771      ?         ?            ?         ?            
1 1 1 42  10 16 x 0  ?            ?           209.961   -153.87      ?         ?            ?         ?            
1 1 1 42  10 14 x 0  ?            ?           228.633   -33.0627     ?         ?            ?         ?            
1 1 1 42  8  20 x 0  ?            ?           70.2221   -100.084     ?         ?            ?         ?            
1 1 1 42  8  19 x 0  ?            ?           133.568   -77.6355     ?         ?            ?         ?            
1 1 1 42  8  18 x 0  ?            ?           288.65    65.4166      ?         ?            ?         ?            
1 1 1 42  8  17 x 0  ?            ?           57.8762   -37.9705     ?         ?            ?         ?            
1 1 1 42  8  16 x 0  ?            ?           127.199   28.1122      ?         ?            ?         ?            
1 1 1 42  6  21 x 0  ?            ?           149.473   40.925       ?         ?            ?         ?            
1 1 1 42  6  20 x 0  ?            ?           308.035   90.7926      ?         ?            ?         ?            
1 1 1 42  6  19 x 0  ?            ?           181.64    -112.769     ?         ?            ?         ?            
1 1 1 42  6  18 x 0  ?            ?           75.5644   52.2143      ?         ?            ?         ?            
1 1 1 42  6  17 x 0  ?            ?           467.732   -55.38       ?         ?            ?         ?            
1 1 1 42  4  22 x 0  ?            ?           203.739   -114.919     ?         ?            ?         ?            
1 1 1 42  4  21 x 0  ?            ?           88.9323   -44.8412     ?         ?            ?         ?            
1 1 1 42  4  20 x 0  ?            ?           87.653    -102.087     ?         ?            ?         ?            
1 1 1 42  4  19 x 0  ?            ?           228.978   -59.1972     ?         ?            ?         ?            
1 1 1 42  4  18 x 0  ?            ?           362.651   28.9277      ?         ?            ?         ?            
1 1 1 42  2  23 x 0  ?            ?           160.112   -14.9028     ?         ?            ?         ?            
1 1 1 42  2  22 x 0  ?            ?           24.7337   -54.139      ?         ?            ?         ?            
1 1 1 42  2  21 x 0  ?            ?           156.385   -146.962     ?         ?            ?         ?            
1 1 1 42  2  20 x 0  ?            ?           358.701   -120.5       ?         ?            ?         ?            
1 1 1 42  0  23 x 0  ?            ?           182.421   0            ?         ?            ?         ?            
1 1 1 42  0  22 x 0  ?            ?           141.801   180          ?         ?            ?         ?            
1 1 1 42  0  21 x 0  ?            ?           201.379   180          ?         ?            ?         ?            
1 1 1 42  0  20 x 0  ?            ?           68.0787   180          ?         ?            ?         ?            
1 1 1 42  0  19 x 0  ?            ?           80.5494   180          ?         ?            ?         ?            
1 1 1 43  13 12 x 0  ?            ?           179.676   31.1176      ?         ?            ?         ?            
1 1 1 43  13 11 x 0  ?            ?           85.3665   -23.8989     ?         ?            ?         ?            
1 1 1 43  13 10 x 0  ?            ?           178.201   -81.0374     ?         ?            ?         ?            
1 1 1 43  13 9  x 0  ?            ?           399.659   -174.079     ?         ?            ?         ?            
1 1 1 43  11 16 x 0  ?            ?           94.9354   -109.682     ?         ?            ?         ?            
1 1 1 43  11 15 x 0  ?            ?           305.317   117.701      ?         ?            ?         ?            
1 1 1 43  11 13 x 0  ?            ?           500.659   -120.797     ?         ?            ?         ?            
1 1 1 43  11 12 x 0  ?            ?           405.874   30.5813      ?         ?            ?         ?            
1 1 1 43  9  18 x 0  ?            ?           134.997   -27.5944     ?         ?            ?         ?            
1 1 1 43  9  17 x 0  ?            ?           245.102   119.288      ?         ?            ?         ?            
1 1 1 43  9  16 x 0  ?            ?           241.773   -159.487     ?         ?            ?         ?            
1 1 1 43  9  15 x 0  ?            ?           378.908   -12.2948     ?         ?            ?         ?            
1 1 1 43  7  20 x 0  ?            ?           55.0682   115.597      ?         ?            ?         ?            
1 1 1 43  7  19 x 0  ?            ?           412.662   -5.17191     ?         ?            ?         ?            
1 1 1 43  7  18 x 0  ?            ?           260.067   -35.8805     ?         ?            ?         ?            
1 1 1 43  7  17 x 0  ?            ?           184.777   150.421      ?         ?            ?         ?            
1 1 1 43  5  21 x 0  ?            ?           130.898   123.881      ?         ?            ?         ?            
1 1 1 43  5  20 x 0  ?            ?           201.48    59.6607      ?         ?            ?         ?            
1 1 1 43  5  19 x 0  ?            ?           160.898   166.652      ?         ?            ?         ?            
1 1 1 43  5  18 x 0  ?            ?           46.9994   77.6405      ?         ?            ?         ?            
1 1 1 43  3  22 x 0  ?            ?           71.6826   88.4345      ?         ?            ?         ?            
1 1 1 43  3  21 x 0  ?            ?           286.634   -30.6156     ?         ?            ?         ?            
1 1 1 43  3  20 x 0  ?            ?           135.306   -3.97831     ?         ?            ?         ?            
1 1 1 43  3  19 x 0  ?            ?           114.998   34.3895      ?         ?            ?         ?            
1 1 1 43  1  23 x 0  ?            ?           193.248   -143.476     ?         ?            ?         ?            
1 1 1 43  1  22 x 0  ?            ?           123.555   45.7117      ?         ?            ?         ?            
1 1 1 43  1  21 x 0  ?            ?           146.094   76.9016      ?         ?            ?         ?            
1 1 1 43  1  19 x 0  ?            ?           106.764   -4.59131     ?         ?            ?         ?            
1 1 1 44  14 9  x 0  ?            ?           69.9373   -27.4721     ?         ?            ?         ?            
1 1 1 44  14 8  x 0  ?            ?           146.179   97.4579      ?         ?            ?         ?            
1 1 1 44  14 7  x 0  ?            ?           577.272   100.744      ?         ?            ?         ?            
1 1 1 44  14 6  x 0  ?            ?           49.7828   178.133      ?         ?            ?         ?            
1 1 1 44  14 5  x 0  ?            ?           147.557   76.2676      ?         ?            ?         ?            
1 1 1 44  12 14 x 0  ?            ?           225.383   81.4437      ?         ?            ?         ?            
1 1 1 44  12 13 x 0  ?            ?           101.341   -5.12897     ?         ?            ?         ?            
1 1 1 44  12 12 x 0  ?            ?           275.561   30.7953      ?         ?            ?         ?            
1 1 1 44  12 11 x 0  ?            ?           345.505   -75.7667     ?         ?            ?         ?            
1 1 1 44  12 10 x 0  ?            ?           178.081   -147.171     ?         ?            ?         ?            
1 1 1 44  10 17 x 0  ?            ?           310.616   -24.4128     ?         ?            ?         ?            
1 1 1 44  10 16 x 0  ?            ?           222.83    54.478       ?         ?            ?         ?            
1 1 1 44  10 15 x 0  ?            ?           197.822   -56.3382     ?         ?            ?         ?            
1 1 1 44  10 14 x 0  ?            ?           331.167   -166.507     ?         ?            ?         ?            
1 1 1 44  10 13 x 0  ?            ?           64.6378   61.5783      ?         ?            ?         ?            
1 1 1 44  8  19 x 0  ?            ?           142.458   166.339      ?         ?            ?         ?            
1 1 1 44  8  18 x 0  ?            ?           139.87    -177.003     ?         ?            ?         ?            
1 1 1 44  8  17 x 0  ?            ?           109.828   -36.8139     ?         ?            ?         ?            
1 1 1 44  8  16 x 0  ?            ?           160.609   -36.7309     ?         ?            ?         ?            
1 1 1 44  8  15 x 0  ?            ?           171.517   -147.205     ?         ?            ?         ?            
1 1 1 44  6  21 x 0  ?            ?           150.76    -106.819     ?         ?            ?         ?            
1 1 1 44  6  20 x 0  ?            ?           247.281   -85.478      ?         ?            ?         ?            
1 1 1 44  6  19 x 0  ?            ?           19.1764   -49.0472     ?         ?            ?         ?            
1 1 1 44  6  18 x 0  ?            ?           56.1534   -141.819     ?         ?            ?         ?            
1 1 1 44  6  17 x 0  ?            ?           118.019   93.2997      ?         ?            ?         ?            
1 1 1 44  4  22 x 0  ?            ?           116.947   -110.833     ?         ?            ?         ?            
1 1 1 44  4  21 x 0  ?            ?           165.645   89.5741      ?         ?            ?         ?            
1 1 1 44  4  20 x 0  ?            ?           186.432   112.805      ?         ?            ?         ?            
1 1 1 44  4  19 x 0  ?            ?           98.236    6.29648      ?         ?            ?         ?            
1 1 1 44  4  18 x 0  ?            ?           447.339   -143.275     ?         ?            ?         ?            
1 1 1 44  2  22 x 0  ?            ?           135.583   -81.8102     ?         ?            ?         ?            
1 1 1 44  2  21 x 0  ?            ?           187.073   -72.2562     ?         ?            ?         ?            
1 1 1 44  2  20 x 0  ?            ?           148.541   28.207       ?         ?            ?         ?            
1 1 1 44  2  19 x 0  ?            ?           66.0814   168.172      ?         ?            ?         ?            
1 1 1 44  2  18 x 0  ?            ?           431.47    -148.826     ?         ?            ?         ?            
1 1 1 44  0  22 x 0  ?            ?           199.338   0            ?         ?            ?         ?            
1 1 1 44  0  21 x 0  ?            ?           85.794    0            ?         ?            ?         ?            
1 1 1 44  0  20 x 0  ?            ?           31.8179   0            ?         ?            ?         ?            
1 1 1 44  0  19 x 0  ?            ?           383.772   0            ?         ?            ?         ?            
1 1 1 45  13 11 x 0  ?            ?           56.1193   -13.1747     ?         ?            ?         ?            
1 1 1 45  13 10 x 0  ?            ?           6.30924   25.8509      ?         ?            ?         ?            
1 1 1 45  13 9  x 0  ?            ?           362.498   45.5534      ?         ?            ?         ?            
1 1 1 45  13 8  x 0  ?            ?           124.896   156.344      ?         ?            ?         ?            
1 1 1 45  11 15 x 0  ?            ?           65.7203   137.868      ?         ?            ?         ?            
1 1 1 45  11 14 x 0  ?            ?           195.623   -51.9713     ?         ?            ?         ?            
1 1 1 45  11 13 x 0  ?            ?           313.178   46.8824      ?         ?            ?         ?            
1 1 1 45  11 12 x 0  ?            ?           343.985   -120.655     ?         ?            ?         ?            
1 1 1 45  9  18 x 0  ?            ?           85.3644   -120.618     ?         ?            ?         ?            
1 1 1 45  9  17 x 0  ?            ?           276.893   -129.576     ?         ?            ?         ?            
1 1 1 45  9  16 x 0  ?            ?           44.1378   -45.0135     ?         ?            ?         ?            
1 1 1 45  9  15 x 0  ?            ?           370.952   146.59       ?         ?            ?         ?            
1 1 1 45  9  14 x 0  ?            ?           213.5     172.924      ?         ?            ?         ?            
1 1 1 45  7  20 x 0  ?            ?           141.421   135.563      ?         ?            ?         ?            
1 1 1 45  7  19 x 0  ?            ?           256.008   147.73       ?         ?            ?         ?            
1 1 1 45  7  18 x 0  ?            ?           108.65    90.7679      ?         ?            ?         ?            
1 1 1 45  7  17 x 0  ?            ?           184.684   -81.5953     ?         ?            ?         ?            
1 1 1 45  7  16 x 0  ?            ?           34.7373   -12.1899     ?         ?            ?         ?            
1 1 1 45  5  20 x 0  ?            ?           222.447   -98.0648     ?         ?            ?         ?            
1 1 1 45  5  19 x 0  ?            ?           161.888   -46.7093     ?         ?            ?         ?            
1 1 1 45  5  18 x 0  ?            ?           141.432   73.7353      ?         ?            ?         ?            
1 1 1 45  5  17 x 0  ?            ?           101.513   102.393      ?         ?            ?         ?            
1 1 1 45  3  22 x 0  ?            ?           174.026   103.298      ?         ?            ?         ?            
1 1 1 45  3  21 x 0  ?            ?           166.995   138.16       ?         ?            ?         ?            
1 1 1 45  3  20 x 0  ?            ?           155.832   179.103      ?         ?            ?         ?            
1 1 1 45  3  19 x 0  ?            ?           276.909   165.501      ?         ?            ?         ?            
1 1 1 45  3  18 x 0  ?            ?           99.5422   -29.1274     ?         ?            ?         ?            
1 1 1 45  1  22 x 0  ?            ?           94.5835   -85.7915     ?         ?            ?         ?            
1 1 1 45  1  21 x 0  ?            ?           182.89    170.55       ?         ?            ?         ?            
1 1 1 45  1  20 x 0  ?            ?           197.47    31.9698      ?         ?            ?         ?            
1 1 1 45  1  19 x 0  ?            ?           281.622   118.091      ?         ?            ?         ?            
1 1 1 45  1  18 x 0  ?            ?           202.526   -30.6875     ?         ?            ?         ?            
1 1 1 46  14 8  x 0  ?            ?           135.07    -77.2865     ?         ?            ?         ?            
1 1 1 46  14 7  x 0  ?            ?           108.517   -75.825      ?         ?            ?         ?            
1 1 1 46  14 6  x 0  ?            ?           191.726   -73.2789     ?         ?            ?         ?            
1 1 1 46  14 5  x 0  ?            ?           129.527   129.748      ?         ?            ?         ?            
1 1 1 46  14 4  x 0  ?            ?           464.094   -57.3813     ?         ?            ?         ?            
1 1 1 46  12 13 x 0  ?            ?           70.0078   -175.651     ?         ?            ?         ?            
1 1 1 46  12 12 x 0  ?            ?           273.893   -23.0261     ?         ?            ?         ?            
1 1 1 46  12 11 x 0  ?            ?           452.679   141.272      ?         ?            ?         ?            
1 1 1 46  12 10 x 0  ?            ?           223.933   44.3767      ?         ?            ?         ?            
1 1 1 46  12 9  x 0  ?            ?           147.81    153.995      ?         ?            ?         ?            
1 1 1 46  10 16 x 0  ?            ?           144.987   158.594      ?         ?            ?         ?            
1 1 1 46  10 15 x 0  ?            ?           197.034   -7.60159     ?         ?            ?         ?            
1 1 1 46  10 14 x 0  ?            ?           297.412   52.1204      ?         ?            ?         ?            
1 1 1 46  10 13 x 0  ?            ?           113.139   -111.781     ?         ?            ?         ?            
1 1 1 46  8  19 x 0  ?            ?           131.422   -140.13      ?         ?            ?         ?            
1 1 1 46  8  18 x 0  ?            ?           64.1587   123.94       ?         ?            ?         ?            
1 1 1 46  8  17 x 0  ?            ?           173.244   64.868       ?         ?            ?         ?            
1 1 1 46  8  16 x 0  ?            ?           253.695   150.571      ?         ?            ?         ?            
1 1 1 46  8  15 x 0  ?            ?           163.102   92.1549      ?         ?            ?         ?            
1 1 1 46  6  20 x 0  ?            ?           121.696   78.9888      ?         ?            ?         ?            
1 1 1 46  6  19 x 0  ?            ?           86.3603   70.6132      ?         ?            ?         ?            
1 1 1 46  6  18 x 0  ?            ?           281.684   -132.527     ?         ?            ?         ?            
1 1 1 46  6  17 x 0  ?            ?           94.1081   81.2786      ?         ?            ?         ?            
1 1 1 46  6  16 x 0  ?            ?           260.92    30.9196      ?         ?            ?         ?            
1 1 1 46  4  21 x 0  ?            ?           101.683   -177.671     ?         ?            ?         ?            
1 1 1 46  4  20 x 0  ?            ?           101.844   -93.6361     ?         ?            ?         ?            
1 1 1 46  4  19 x 0  ?            ?           34.5786   -175.517     ?         ?            ?         ?            
1 1 1 46  4  18 x 0  ?            ?           381.29    20.1047      ?         ?            ?         ?            
1 1 1 46  4  17 x 0  ?            ?           186.228   69.2381      ?         ?            ?         ?            
1 1 1 46  2  22 x 0  ?            ?           165.884   66.2318      ?         ?            ?         ?            
1 1 1 46  2  21 x 0  ?            ?           109.953   91.6406      ?         ?            ?         ?            
1 1 1 46  2  20 x 0  ?            ?           78.1738   -103.439     ?         ?            ?         ?            
1 1 1 46  2  19 x 0  ?            ?           220.788   -89.2421     ?         ?            ?         ?            
1 1 1 46  2  18 x 0  ?            ?           101.194   45.9953      ?         ?            ?         ?            
1 1 1 46  0  22 x 0  ?            ?           151.457   180          ?         ?            ?         ?            
1 1 1 46  0  21 x 0  ?            ?           206.285   0            ?         ?            ?         ?            
1 1 1 46  0  19 x 0  ?            ?           165.342   180          ?         ?            ?         ?            
1 1 1 46  0  18 x 0  ?            ?           17.7688   180          ?         ?            ?         ?            
1 1 1 47  13 11 x 0  ?            ?           204.706   -42.2779     ?         ?            ?         ?            
1 1 1 47  13 10 x 0  ?            ?           348.423   137.909      ?         ?            ?         ?            
1 1 1 47  13 8  x 0  ?            ?           266.167   65.9547      ?         ?            ?         ?            
1 1 1 47  13 7  x 0  ?            ?           331.482   56.5437      ?         ?            ?         ?            
1 1 1 47  11 15 x 0  ?            ?           76.053    -179.338     ?         ?            ?         ?            
1 1 1 47  11 14 x 0  ?            ?           147.112   97.9752      ?         ?            ?         ?            
1 1 1 47  11 13 x 0  ?            ?           243.43    -83.2206     ?         ?            ?         ?            
1 1 1 47  11 12 x 0  ?            ?           340.716   135.604      ?         ?            ?         ?            
1 1 1 47  11 11 x 0  ?            ?           499.695   60.2605      ?         ?            ?         ?            
1 1 1 47  9  18 x 0  ?            ?           267.19    51.5618      ?         ?            ?         ?            
1 1 1 47  9  17 x 0  ?            ?           202.13    65.0486      ?         ?            ?         ?            
1 1 1 47  9  16 x 0  ?            ?           270.651   -47.4715     ?         ?            ?         ?            
1 1 1 47  9  15 x 0  ?            ?           237.373   -98.9586     ?         ?            ?         ?            
1 1 1 47  9  14 x 0  ?            ?           662.828   -47.81       ?         ?            ?         ?            
1 1 1 47  7  19 x 0  ?            ?           55.2936   119.555      ?         ?            ?         ?            
1 1 1 47  7  18 x 0  ?            ?           237.115   10.9847      ?         ?            ?         ?            
1 1 1 47  7  17 x 0  ?            ?           189.696   132.223      ?         ?            ?         ?            
1 1 1 47  7  16 x 0  ?            ?           157.973   64.2608      ?         ?            ?         ?            
1 1 1 47  7  15 x 0  ?            ?           205.178   -113.73      ?         ?            ?         ?            
1 1 1 47  5  20 x 0  ?            ?           293.735   101.102      ?         ?            ?         ?            
1 1 1 47  5  19 x 0  ?            ?           165.64    -172.13      ?         ?            ?         ?            
1 1 1 47  5  18 x 0  ?            ?           87.6054   59.9005      ?         ?            ?         ?            
1 1 1 47  5  17 x 0  ?            ?           416.015   -64.8311     ?         ?            ?         ?            
1 1 1 47  3  22 x 0  ?            ?           160.99    -165.952     ?         ?            ?         ?            
1 1 1 47  3  21 x 0  ?            ?           87.2511   -62.4342     ?         ?            ?         ?            
1 1 1 47  3  20 x 0  ?            ?           98.1775   35.1694      ?         ?            ?         ?            
1 1 1 47  3  19 x 0  ?            ?           263.125   -9.19196     ?         ?            ?         ?            
1 1 1 47  3  18 x 0  ?            ?           305.512   -115.837     ?         ?            ?         ?            
1 1 1 47  3  17 x 0  ?            ?           467.335   37.644       ?         ?            ?         ?            
1 1 1 47  1  22 x 0  ?            ?           69.6602   -136.406     ?         ?            ?         ?            
1 1 1 47  1  21 x 0  ?            ?           81.5239   39.928       ?         ?            ?         ?            
1 1 1 47  1  20 x 0  ?            ?           211.889   -143.556     ?         ?            ?         ?            
1 1 1 47  1  19 x 0  ?            ?           257.831   -123.165     ?         ?            ?         ?            
1 1 1 47  1  18 x 0  ?            ?           148.586   94.9884      ?         ?            ?         ?            
1 1 1 48  14 6  x 0  ?            ?           252.524   175.403      ?         ?            ?         ?            
1 1 1 48  14 5  x 0  ?            ?           281.938   110.086      ?         ?            ?         ?            
1 1 1 48  14 4  x 0  ?            ?           293.014   -11.4272     ?         ?            ?         ?            
1 1 1 48  14 3  x 0  ?            ?           139.576   -103.209     ?         ?            ?         ?            
1 1 1 48  14 2  x 0  ?            ?           388.195   -123.063     ?         ?            ?         ?            
1 1 1 48  14 1  x 0  ?            ?           416.423   -26.0768     ?         ?            ?         ?            
1 1 1 48  12 13 x 0  ?            ?           150.062   126.945      ?         ?            ?         ?            
1 1 1 48  12 12 x 0  ?            ?           133.682   170.73       ?         ?            ?         ?            
1 1 1 48  12 11 x 0  ?            ?           73.862    90.2679      ?         ?            ?         ?            
1 1 1 48  12 10 x 0  ?            ?           445.718   -11.1676     ?         ?            ?         ?            
1 1 1 48  12 9  x 0  ?            ?           332.445   126.387      ?         ?            ?         ?            
1 1 1 48  10 16 x 0  ?            ?           46.7645   -27.1147     ?         ?            ?         ?            
1 1 1 48  10 15 x 0  ?            ?           149.817   115.179      ?         ?            ?         ?            
1 1 1 48  10 13 x 0  ?            ?           102.559   -108.92      ?         ?            ?         ?            
1 1 1 48  10 12 x 0  ?            ?           178.355   88.5932      ?         ?            ?         ?            
1 1 1 48  8  18 x 0  ?            ?           171.419   -123.421     ?         ?            ?         ?            
1 1 1 48  8  17 x 0  ?            ?           296.805   -104.248     ?         ?            ?         ?            
1 1 1 48  8  16 x 0  ?            ?           215.428   -168.501     ?         ?            ?         ?            
1 1 1 48  8  15 x 0  ?            ?           351.162   -31.0407     ?         ?            ?         ?            
1 1 1 48  6  20 x 0  ?            ?           147.557   -128.745     ?         ?            ?         ?            
1 1 1 48  6  19 x 0  ?            ?           217.309   24.4193      ?         ?            ?         ?            
1 1 1 48  6  18 x 0  ?            ?           193.087   96.1155      ?         ?            ?         ?            
1 1 1 48  6  17 x 0  ?            ?           136.196   102.448      ?         ?            ?         ?            
1 1 1 48  6  16 x 0  ?            ?           327.803   -126.673     ?         ?            ?         ?            
1 1 1 48  4  21 x 0  ?            ?           79.9894   -91.6448     ?         ?            ?         ?            
1 1 1 48  4  20 x 0  ?            ?           137.15    66.5673      ?         ?            ?         ?            
1 1 1 48  4  19 x 0  ?            ?           63.5204   102.64       ?         ?            ?         ?            
1 1 1 48  4  18 x 0  ?            ?           169.35    -78.58       ?         ?            ?         ?            
1 1 1 48  4  17 x 0  ?            ?           610.789   170.668      ?         ?            ?         ?            
1 1 1 48  2  21 x 0  ?            ?           64.4248   -145.337     ?         ?            ?         ?            
1 1 1 48  2  20 x 0  ?            ?           28.3396   66.9724      ?         ?            ?         ?            
1 1 1 48  2  19 x 0  ?            ?           308.077   105.098      ?         ?            ?         ?            
1 1 1 48  2  17 x 0  ?            ?           353.782   -113.216     ?         ?            ?         ?            
1 1 1 48  0  22 x 0  ?            ?           29.974    0            ?         ?            ?         ?            
1 1 1 48  0  21 x 0  ?            ?           51.4051   180          ?         ?            ?         ?            
1 1 1 48  0  19 x 0  ?            ?           170.254   0            ?         ?            ?         ?            
1 1 1 48  0  18 x 0  ?            ?           113.426   0            ?         ?            ?         ?            
1 1 1 49  13 9  x 0  ?            ?           421.739   -69.7753     ?         ?            ?         ?            
1 1 1 49  13 8  x 0  ?            ?           120.02    168.972      ?         ?            ?         ?            
1 1 1 49  13 7  x 0  ?            ?           181.905   -157.33      ?         ?            ?         ?            
1 1 1 49  13 6  x 0  ?            ?           338.92    71.9973      ?         ?            ?         ?            
1 1 1 49  13 5  x 0  ?            ?           258.712   87.4559      ?         ?            ?         ?            
1 1 1 49  11 14 x 0  ?            ?           68.183    111.738      ?         ?            ?         ?            
1 1 1 49  11 13 x 0  ?            ?           140.576   133.782      ?         ?            ?         ?            
1 1 1 49  11 12 x 0  ?            ?           346.964   -4.91317     ?         ?            ?         ?            
1 1 1 49  11 10 x 0  ?            ?           138.691   -143.013     ?         ?            ?         ?            
1 1 1 49  9  17 x 0  ?            ?           148.893   -133.744     ?         ?            ?         ?            
1 1 1 49  9  16 x 0  ?            ?           171.366   45.3839      ?         ?            ?         ?            
1 1 1 49  9  15 x 0  ?            ?           420.577   83.3595      ?         ?            ?         ?            
1 1 1 49  9  14 x 0  ?            ?           160.185   18.166       ?         ?            ?         ?            
1 1 1 49  9  13 x 0  ?            ?           351.001   112.517      ?         ?            ?         ?            
1 1 1 49  7  19 x 0  ?            ?           72.5727   -178.269     ?         ?            ?         ?            
1 1 1 49  7  18 x 0  ?            ?           191.468   -127.484     ?         ?            ?         ?            
1 1 1 49  7  17 x 0  ?            ?           83.6778   -43.8346     ?         ?            ?         ?            
1 1 1 49  7  16 x 0  ?            ?           333.819   14.2885      ?         ?            ?         ?            
1 1 1 49  7  15 x 0  ?            ?           142.828   -163.903     ?         ?            ?         ?            
1 1 1 49  5  20 x 0  ?            ?           335.952   -65.5988     ?         ?            ?         ?            
1 1 1 49  5  19 x 0  ?            ?           145.076   -28.2987     ?         ?            ?         ?            
1 1 1 49  5  18 x 0  ?            ?           56.4689   140.54       ?         ?            ?         ?            
1 1 1 49  5  17 x 0  ?            ?           169.289   78.5927      ?         ?            ?         ?            
1 1 1 49  5  16 x 0  ?            ?           452.16    74.6084      ?         ?            ?         ?            
1 1 1 49  3  21 x 0  ?            ?           41.8727   -5.92494     ?         ?            ?         ?            
1 1 1 49  3  20 x 0  ?            ?           94.3272   -98.0669     ?         ?            ?         ?            
1 1 1 49  3  19 x 0  ?            ?           263.145   149.783      ?         ?            ?         ?            
1 1 1 49  3  18 x 0  ?            ?           297.269   136.852      ?         ?            ?         ?            
1 1 1 49  3  17 x 0  ?            ?           99.2442   -63.1385     ?         ?            ?         ?            
1 1 1 49  1  22 x 0  ?            ?           208.41    -36.4915     ?         ?            ?         ?            
1 1 1 49  1  21 x 0  ?            ?           16.7803   72.0139      ?         ?            ?         ?            
1 1 1 49  1  20 x 0  ?            ?           147.164   135.583      ?         ?            ?         ?            
1 1 1 49  1  19 x 0  ?            ?           69.4414   -10.4268     ?         ?            ?         ?            
1 1 1 49  1  18 x 0  ?            ?           170.614   119.518      ?         ?            ?         ?            
1 1 1 49  1  17 x 0  ?            ?           313.056   -119.24      ?         ?            ?         ?            
1 1 1 50  12 12 x 0  ?            ?           112.95    -103.032     ?         ?            ?         ?            
1 1 1 50  12 11 x 0  ?            ?           187.614   -136.495     ?         ?            ?         ?            
1 1 1 50  12 10 x 0  ?            ?           303.796   -179.555     ?         ?            ?         ?            
1 1 1 50  12 9  x 0  ?            ?           77.071    -105.842     ?         ?            ?         ?            
1 1 1 50  12 8  x 0  ?            ?           364.983   0.933494     ?         ?            ?         ?            
1 1 1 50  12 7  x 0  ?            ?           228.034   63.4061      ?         ?            ?         ?            
1 1 1 50  10 16 x 0  ?            ?           194.588   -145.877     ?         ?            ?         ?            
1 1 1 50  10 15 x 0  ?            ?           197.093   -128.437     ?         ?            ?         ?            
1 1 1 50  10 14 x 0  ?            ?           129.202   29.9907      ?         ?            ?         ?            
1 1 1 50  10 12 x 0  ?            ?           161.628   143.166      ?         ?            ?         ?            
1 1 1 50  10 11 x 0  ?            ?           295.412   141.151      ?         ?            ?         ?            
1 1 1 50  8  18 x 0  ?            ?           93.4384   -41.4054     ?         ?            ?         ?            
1 1 1 50  8  17 x 0  ?            ?           151.07    3.5774       ?         ?            ?         ?            
1 1 1 50  8  16 x 0  ?            ?           28.9658   -91.0843     ?         ?            ?         ?            
1 1 1 50  8  15 x 0  ?            ?           72.5514   71.961       ?         ?            ?         ?            
1 1 1 50  6  20 x 0  ?            ?           159.783   84.5516      ?         ?            ?         ?            
1 1 1 50  6  19 x 0  ?            ?           319.79    -146.277     ?         ?            ?         ?            
1 1 1 50  6  18 x 0  ?            ?           191.08    -105.911     ?         ?            ?         ?            
1 1 1 50  6  17 x 0  ?            ?           207.24    -10.3021     ?         ?            ?         ?            
1 1 1 50  6  16 x 0  ?            ?           185.201   -126.468     ?         ?            ?         ?            
1 1 1 50  4  21 x 0  ?            ?           66.9779   126.842      ?         ?            ?         ?            
1 1 1 50  4  20 x 0  ?            ?           119.672   -179.327     ?         ?            ?         ?            
1 1 1 50  4  19 x 0  ?            ?           206.001   -104.328     ?         ?            ?         ?            
1 1 1 50  4  18 x 0  ?            ?           124.823   178.699      ?         ?            ?         ?            
1 1 1 50  4  17 x 0  ?            ?           448.807   8.05794      ?         ?            ?         ?            
1 1 1 50  4  16 x 0  ?            ?           309.384   -81.5436     ?         ?            ?         ?            
1 1 1 50  2  21 x 0  ?            ?           77.7166   96.0244      ?         ?            ?         ?            
1 1 1 50  2  20 x 0  ?            ?           19.1739   -38.9368     ?         ?            ?         ?            
1 1 1 50  2  19 x 0  ?            ?           357.199   -53.1127     ?         ?            ?         ?            
1 1 1 50  2  18 x 0  ?            ?           233.927   -49.7869     ?         ?            ?         ?            
1 1 1 50  2  17 x 0  ?            ?           212.661   33.6191      ?         ?            ?         ?            
1 1 1 50  0  21 x 0  ?            ?           45.3591   0            ?         ?            ?         ?            
1 1 1 50  0  20 x 0  ?            ?           170.132   0            ?         ?            ?         ?            
1 1 1 50  0  19 x 0  ?            ?           76.1426   180          ?         ?            ?         ?            
1 1 1 50  0  18 x 0  ?            ?           107.555   0            ?         ?            ?         ?            
1 1 1 50  0  17 x 0  ?            ?           308.391   180          ?         ?            ?         ?            
1 1 1 51  13 8  x 0  ?            ?           66.6163   87.0966      ?         ?            ?         ?            
1 1 1 51  13 7  x 0  ?            ?           60.7509   10.8831      ?         ?            ?         ?            
1 1 1 51  13 6  x 0  ?            ?           77.0721   -159.465     ?         ?            ?         ?            
1 1 1 51  13 5  x 0  ?            ?           305.363   -88.6889     ?         ?            ?         ?            
1 1 1 51  13 4  x 0  ?            ?           160.285   -105.159     ?         ?            ?         ?            
1 1 1 51  11 14 x 0  ?            ?           119.846   -174.247     ?         ?            ?         ?            
1 1 1 51  11 13 x 0  ?            ?           120.283   28.9422      ?         ?            ?         ?            
1 1 1 51  11 12 x 0  ?            ?           263.001   145.672      ?         ?            ?         ?            
1 1 1 51  11 11 x 0  ?            ?           230.269   116.473      ?         ?            ?         ?            
1 1 1 51  11 10 x 0  ?            ?           200.655   -149.029     ?         ?            ?         ?            
1 1 1 51  11 9  x 0  ?            ?           308.209   -63.3902     ?         ?            ?         ?            
1 1 1 51  9  17 x 0  ?            ?           100.67    50.5581      ?         ?            ?         ?            
1 1 1 51  9  16 x 0  ?            ?           216.308   166.581      ?         ?            ?         ?            
1 1 1 51  9  15 x 0  ?            ?           176.681   -110.337     ?         ?            ?         ?            
1 1 1 51  9  14 x 0  ?            ?           52.2134   -62.6669     ?         ?            ?         ?            
1 1 1 51  9  13 x 0  ?            ?           207.09    121.418      ?         ?            ?         ?            
1 1 1 51  9  12 x 0  ?            ?           583.678   -151.322     ?         ?            ?         ?            
1 1 1 51  7  19 x 0  ?            ?           99.136    -73.4723     ?         ?            ?         ?            
1 1 1 51  7  18 x 0  ?            ?           167.006   72.823       ?         ?            ?         ?            
1 1 1 51  7  17 x 0  ?            ?           199.639   138.152      ?         ?            ?         ?            
1 1 1 51  7  16 x 0  ?            ?           196.829   139.605      ?         ?            ?         ?            
1 1 1 51  7  15 x 0  ?            ?           158.33    80.3133      ?         ?            ?         ?            
1 1 1 51  7  14 x 0  ?            ?           429.989   155.132      ?         ?            ?         ?            
1 1 1 51  5  20 x 0  ?            ?           54.9677   144.928      ?         ?            ?         ?            
1 1 1 51  5  19 x 0  ?            ?           330.869   146.271      ?         ?            ?         ?            
1 1 1 51  5  18 x 0  ?            ?           282.287   35.8437      ?         ?            ?         ?            
1 1 1 51  5  17 x 0  ?            ?           269.746   -108.817     ?         ?            ?         ?            
1 1 1 51  5  16 x 0  ?            ?           406.61    -102.398     ?         ?            ?         ?            
1 1 1 51  5  15 x 0  ?            ?           581.881   90.0062      ?         ?            ?         ?            
1 1 1 51  3  21 x 0  ?            ?           58.1845   170.296      ?         ?            ?         ?            
1 1 1 51  3  20 x 0  ?            ?           189.553   13.7179      ?         ?            ?         ?            
1 1 1 51  3  19 x 0  ?            ?           181.036   39.3982      ?         ?            ?         ?            
1 1 1 51  3  18 x 0  ?            ?           240.716   6.22275      ?         ?            ?         ?            
1 1 1 51  3  17 x 0  ?            ?           160.714   -109.249     ?         ?            ?         ?            
1 1 1 51  3  16 x 0  ?            ?           114.728   -174.543     ?         ?            ?         ?            
1 1 1 51  1  21 x 0  ?            ?           128.226   -135.803     ?         ?            ?         ?            
1 1 1 51  1  20 x 0  ?            ?           182.35    -22.7157     ?         ?            ?         ?            
1 1 1 51  1  18 x 0  ?            ?           149.665   -37.0766     ?         ?            ?         ?            
1 1 1 51  1  17 x 0  ?            ?           253.048   -13.1331     ?         ?            ?         ?            
1 1 1 52  12 11 x 0  ?            ?           52.9552   131.015      ?         ?            ?         ?            
1 1 1 52  12 10 x 0  ?            ?           126.176   56.3427      ?         ?            ?         ?            
1 1 1 52  12 9  x 0  ?            ?           160.273   123.626      ?         ?            ?         ?            
1 1 1 52  12 8  x 0  ?            ?           477.659   139.889      ?         ?            ?         ?            
1 1 1 52  12 7  x 0  ?            ?           147.319   158.658      ?         ?            ?         ?            
1 1 1 52  12 6  x 0  ?            ?           229.696   -7.05146     ?         ?            ?         ?            
1 1 1 52  10 15 x 0  ?            ?           97.3714   85.4119      ?         ?            ?         ?            
1 1 1 52  10 14 x 0  ?            ?           51.2351   139.592      ?         ?            ?         ?            
1 1 1 52  10 13 x 0  ?            ?           155.231   -89.558      ?         ?            ?         ?            
1 1 1 52  10 10 x 0  ?            ?           219.685   -92.5778     ?         ?            ?         ?            
1 1 1 52  8  17 x 0  ?            ?           255.401   124.969      ?         ?            ?         ?            
1 1 1 52  8  16 x 0  ?            ?           143.711   -63.3121     ?         ?            ?         ?            
1 1 1 52  8  15 x 0  ?            ?           124.252   -119.682     ?         ?            ?         ?            
1 1 1 52  8  14 x 0  ?            ?           249.611   27.889       ?         ?            ?         ?            
1 1 1 52  8  13 x 0  ?            ?           55.2811   -170.775     ?         ?            ?         ?            
1 1 1 52  6  19 x 0  ?            ?           190.116   44.1624      ?         ?            ?         ?            
1 1 1 52  6  18 x 0  ?            ?           280.186   38.4114      ?         ?            ?         ?            
1 1 1 52  6  17 x 0  ?            ?           169.129   150.933      ?         ?            ?         ?            
1 1 1 52  6  16 x 0  ?            ?           206.204   87.9414      ?         ?            ?         ?            
1 1 1 52  6  15 x 0  ?            ?           76.2769   145.714      ?         ?            ?         ?            
1 1 1 52  6  14 x 0  ?            ?           210.803   -61.7043     ?         ?            ?         ?            
1 1 1 52  4  20 x 0  ?            ?           45.7527   129.181      ?         ?            ?         ?            
1 1 1 52  4  19 x 0  ?            ?           256.629   44.0422      ?         ?            ?         ?            
1 1 1 52  4  18 x 0  ?            ?           187.983   -131.975     ?         ?            ?         ?            
1 1 1 52  4  17 x 0  ?            ?           107.632   -120.842     ?         ?            ?         ?            
1 1 1 52  4  16 x 0  ?            ?           189.589   127.821      ?         ?            ?         ?            
1 1 1 52  2  21 x 0  ?            ?           202.333   -7.98047     ?         ?            ?         ?            
1 1 1 52  2  20 x 0  ?            ?           152.999   -154.453     ?         ?            ?         ?            
1 1 1 52  2  19 x 0  ?            ?           252.593   129.595      ?         ?            ?         ?            
1 1 1 52  2  18 x 0  ?            ?           243.661   124.427      ?         ?            ?         ?            
1 1 1 52  2  17 x 0  ?            ?           151.208   143.709      ?         ?            ?         ?            
1 1 1 52  2  16 x 0  ?            ?           237.48    176.621      ?         ?            ?         ?            
1 1 1 52  0  21 x 0  ?            ?           76.583    0            ?         ?            ?         ?            
1 1 1 52  0  20 x 0  ?            ?           146.13    180          ?         ?            ?         ?            
1 1 1 52  0  19 x 0  ?            ?           107.067   0            ?         ?            ?         ?            
1 1 1 52  0  18 x 0  ?            ?           54.552    0            ?         ?            ?         ?            
1 1 1 52  0  17 x 0  ?            ?           65.3911   180          ?         ?            ?         ?            
1 1 1 52  0  16 x 0  ?            ?           156.883   180          ?         ?            ?         ?            
1 1 1 53  13 6  x 0  ?            ?           18.5871   96.3559      ?         ?            ?         ?            
1 1 1 53  13 5  x 0  ?            ?           141.597   178.571      ?         ?            ?         ?            
1 1 1 53  13 3  x 0  ?            ?           351.986   13.9752      ?         ?            ?         ?            
1 1 1 53  13 2  x 0  ?            ?           461.72    -79.9252     ?         ?            ?         ?            
1 1 1 53  11 13 x 0  ?            ?           239.626   173.772      ?         ?            ?         ?            
1 1 1 53  11 12 x 0  ?            ?           186.628   -146.767     ?         ?            ?         ?            
1 1 1 53  11 11 x 0  ?            ?           56.2299   13.7127      ?         ?            ?         ?            
1 1 1 53  11 10 x 0  ?            ?           105.034   97.7107      ?         ?            ?         ?            
1 1 1 53  11 9  x 0  ?            ?           79.7157   -166.057     ?         ?            ?         ?            
1 1 1 53  11 8  x 0  ?            ?           112.67    -164.973     ?         ?            ?         ?            
1 1 1 53  9  16 x 0  ?            ?           178.801   -63.3039     ?         ?            ?         ?            
1 1 1 53  9  15 x 0  ?            ?           101.487   -64.4205     ?         ?            ?         ?            
1 1 1 53  9  14 x 0  ?            ?           230.259   172.397      ?         ?            ?         ?            
1 1 1 53  9  13 x 0  ?            ?           186.668   -66.9849     ?         ?            ?         ?            
1 1 1 53  9  12 x 0  ?            ?           414.242   142.584      ?         ?            ?         ?            
1 1 1 53  9  11 x 0  ?            ?           95.8361   105.84       ?         ?            ?         ?            
1 1 1 53  7  18 x 0  ?            ?           88.0532   142.925      ?         ?            ?         ?            
1 1 1 53  7  17 x 0  ?            ?           289.605   -54.4286     ?         ?            ?         ?            
1 1 1 53  7  16 x 0  ?            ?           108.91    -150.987     ?         ?            ?         ?            
1 1 1 53  7  15 x 0  ?            ?           475.231   -50.9585     ?         ?            ?         ?            
1 1 1 53  7  14 x 0  ?            ?           101.268   -111.197     ?         ?            ?         ?            
1 1 1 53  7  13 x 0  ?            ?           319.494   45.8886      ?         ?            ?         ?            
1 1 1 53  5  19 x 0  ?            ?           93.0394   -26.8433     ?         ?            ?         ?            
1 1 1 53  5  18 x 0  ?            ?           156.207   -106.319     ?         ?            ?         ?            
1 1 1 53  5  17 x 0  ?            ?           259.617   132.345      ?         ?            ?         ?            
1 1 1 53  5  16 x 0  ?            ?           191.76    65.3623      ?         ?            ?         ?            
1 1 1 53  3  20 x 0  ?            ?           141.791   136.142      ?         ?            ?         ?            
1 1 1 53  3  19 x 0  ?            ?           251.786   -127.967     ?         ?            ?         ?            
1 1 1 53  3  18 x 0  ?            ?           53.3205   87.7741      ?         ?            ?         ?            
1 1 1 53  3  17 x 0  ?            ?           192.908   -156.184     ?         ?            ?         ?            
1 1 1 53  3  16 x 0  ?            ?           211.325   3.47475      ?         ?            ?         ?            
1 1 1 53  1  21 x 0  ?            ?           89.1695   68.1645      ?         ?            ?         ?            
1 1 1 53  1  20 x 0  ?            ?           165.475   66.2262      ?         ?            ?         ?            
1 1 1 53  1  16 x 0  ?            ?           408.576   -23.7971     ?         ?            ?         ?            
1 1 1 54  12 10 x 0  ?            ?           130.306   -13.796      ?         ?            ?         ?            
1 1 1 54  12 9  x 0  ?            ?           132.244   41.1329      ?         ?            ?         ?            
1 1 1 54  12 8  x 0  ?            ?           300.484   -71.0252     ?         ?            ?         ?            
1 1 1 54  12 7  x 0  ?            ?           302.106   -67.92       ?         ?            ?         ?            
1 1 1 54  12 6  x 0  ?            ?           341.917   92.1866      ?         ?            ?         ?            
1 1 1 54  12 5  x 0  ?            ?           441.58    44.5426      ?         ?            ?         ?            
1 1 1 54  10 14 x 0  ?            ?           75.448    1.42137      ?         ?            ?         ?            
1 1 1 54  10 13 x 0  ?            ?           316.82    73.6368      ?         ?            ?         ?            
1 1 1 54  10 12 x 0  ?            ?           64.2581   -94.1511     ?         ?            ?         ?            
1 1 1 54  10 11 x 0  ?            ?           357.076   37.4524      ?         ?            ?         ?            
1 1 1 54  10 9  x 0  ?            ?           155.382   -146.03      ?         ?            ?         ?            
1 1 1 54  8  17 x 0  ?            ?           165.86    3.19806      ?         ?            ?         ?            
1 1 1 54  8  16 x 0  ?            ?           215.398   -25.5287     ?         ?            ?         ?            
1 1 1 54  8  15 x 0  ?            ?           504.931   126.149      ?         ?            ?         ?            
1 1 1 54  8  14 x 0  ?            ?           267.779   -4.70232     ?         ?            ?         ?            
1 1 1 54  8  13 x 0  ?            ?           45.0237   100.867      ?         ?            ?         ?            
1 1 1 54  8  12 x 0  ?            ?           507.136   34.6886      ?         ?            ?         ?            
1 1 1 54  6  19 x 0  ?            ?           183.53    -63.5883     ?         ?            ?         ?            
1 1 1 54  6  18 x 0  ?            ?           98.8585   -123.924     ?         ?            ?         ?            
1 1 1 54  6  17 x 0  ?            ?           85.8116   -145.706     ?         ?            ?         ?            
1 1 1 54  6  16 x 0  ?            ?           249.018   -11.1346     ?         ?            ?         ?            
1 1 1 54  6  15 x 0  ?            ?           195.109   -170.861     ?         ?            ?         ?            
1 1 1 54  6  14 x 0  ?            ?           338.011   64.415       ?         ?            ?         ?            
1 1 1 54  4  20 x 0  ?            ?           190.304   -71.3785     ?         ?            ?         ?            
1 1 1 54  4  19 x 0  ?            ?           117.895   43.8711      ?         ?            ?         ?            
1 1 1 54  4  17 x 0  ?            ?           145.392   48.2858      ?         ?            ?         ?            
1 1 1 54  4  16 x 0  ?            ?           246.229   123.797      ?         ?            ?         ?            
1 1 1 54  4  15 x 0  ?            ?           54.4996   141.221      ?         ?            ?         ?            
1 1 1 54  2  20 x 0  ?            ?           107.488   -28.0912     ?         ?            ?         ?            
1 1 1 54  2  19 x 0  ?            ?           139.708   -15.4423     ?         ?            ?         ?            
1 1 1 54  2  18 x 0  ?            ?           155.389   -35.3331     ?         ?            ?         ?            
1 1 1 54  2  17 x 0  ?            ?           183.954   14.8654      ?         ?            ?         ?            
1 1 1 54  2  16 x 0  ?            ?           193.903   17.2083      ?         ?            ?         ?            
1 1 1 54  0  21 x 0  ?            ?           28.5486   180          ?         ?            ?         ?            
1 1 1 54  0  20 x 0  ?            ?           76.1854   180          ?         ?            ?         ?            
1 1 1 54  0  19 x 0  ?            ?           25.1803   0            ?         ?            ?         ?            
1 1 1 54  0  18 x 0  ?            ?           263.678   180          ?         ?            ?         ?            
1 1 1 54  0  17 x 0  ?            ?           7.50918   0            ?         ?            ?         ?            
1 1 1 54  0  16 x 0  ?            ?           289.323   180          ?         ?            ?         ?            
1 1 1 55  11 12 x 0  ?            ?           98.3223   24.268       ?         ?            ?         ?            
1 1 1 55  11 11 x 0  ?            ?           90.8564   105.057      ?         ?            ?         ?            
1 1 1 55  11 10 x 0  ?            ?           175.829   -10.9391     ?         ?            ?         ?            
1 1 1 55  11 9  x 0  ?            ?           264.966   -130.471     ?         ?            ?         ?            
1 1 1 55  11 8  x 0  ?            ?           179.819   59.1253      ?         ?            ?         ?            
1 1 1 55  11 7  x 0  ?            ?           175.3     85.0598      ?         ?            ?         ?            
1 1 1 55  9  15 x 0  ?            ?           243.177   6.85512      ?         ?            ?         ?            
1 1 1 55  9  14 x 0  ?            ?           197.601   65.3605      ?         ?            ?         ?            
1 1 1 55  9  13 x 0  ?            ?           405.258   -88.4159     ?         ?            ?         ?            
1 1 1 55  9  12 x 0  ?            ?           158.024   -75.8125     ?         ?            ?         ?            
1 1 1 55  9  11 x 0  ?            ?           110.288   112.174      ?         ?            ?         ?            
1 1 1 55  9  10 x 0  ?            ?           252.656   -169.414     ?         ?            ?         ?            
1 1 1 55  7  18 x 0  ?            ?           160.658   -103.234     ?         ?            ?         ?            
1 1 1 55  7  16 x 0  ?            ?           152.409   135.594      ?         ?            ?         ?            
1 1 1 55  7  15 x 0  ?            ?           124.138   125.267      ?         ?            ?         ?            
1 1 1 55  7  14 x 0  ?            ?           245.148   152.703      ?         ?            ?         ?            
1 1 1 55  7  13 x 0  ?            ?           376.985   -23.7825     ?         ?            ?         ?            
1 1 1 55  5  19 x 0  ?            ?           95.0842   158.5        ?         ?            ?         ?            
1 1 1 55  5  18 x 0  ?            ?           99.9454   -129.63      ?         ?            ?         ?            
1 1 1 55  5  17 x 0  ?            ?           304.892   -71.8279     ?         ?            ?         ?            
1 1 1 55  5  16 x 0  ?            ?           115.323   -98.668      ?         ?            ?         ?            
1 1 1 55  5  15 x 0  ?            ?           187.581   -2.72526     ?         ?            ?         ?            
1 1 1 55  5  14 x 0  ?            ?           323.123   -35.3096     ?         ?            ?         ?            
1 1 1 55  3  20 x 0  ?            ?           126.189   116.021      ?         ?            ?         ?            
1 1 1 55  3  19 x 0  ?            ?           134.844   -25.1141     ?         ?            ?         ?            
1 1 1 55  3  18 x 0  ?            ?           117.679   -20.4833     ?         ?            ?         ?            
1 1 1 55  3  17 x 0  ?            ?           176.856   43.5502      ?         ?            ?         ?            
1 1 1 55  3  16 x 0  ?            ?           60.3957   150.603      ?         ?            ?         ?            
1 1 1 55  3  15 x 0  ?            ?           327.659   -89.2636     ?         ?            ?         ?            
1 1 1 55  1  20 x 0  ?            ?           186.226   -91.738      ?         ?            ?         ?            
1 1 1 55  1  19 x 0  ?            ?           87.5056   4.23964      ?         ?            ?         ?            
1 1 1 55  1  18 x 0  ?            ?           141.423   -18.3086     ?         ?            ?         ?            
1 1 1 55  1  17 x 0  ?            ?           158.151   -34.8798     ?         ?            ?         ?            
1 1 1 55  1  16 x 0  ?            ?           146.72    154.958      ?         ?            ?         ?            
1 1 1 55  1  15 x 0  ?            ?           124.874   -132.078     ?         ?            ?         ?            
1 1 1 56  12 8  x 0  ?            ?           157.669   133.867      ?         ?            ?         ?            
1 1 1 56  12 7  x 0  ?            ?           183.111   -159.745     ?         ?            ?         ?            
1 1 1 56  12 6  x 0  ?            ?           180.322   -149.805     ?         ?            ?         ?            
1 1 1 56  12 5  x 0  ?            ?           188.046   -82.471      ?         ?            ?         ?            
1 1 1 56  12 4  x 0  ?            ?           407.538   157.27       ?         ?            ?         ?            
1 1 1 56  12 3  x 0  ?            ?           321.511   39.69        ?         ?            ?         ?            
1 1 1 56  10 13 x 0  ?            ?           112.283   95.037       ?         ?            ?         ?            
1 1 1 56  10 12 x 0  ?            ?           137.233   141.504      ?         ?            ?         ?            
1 1 1 56  10 11 x 0  ?            ?           167.697   174.552      ?         ?            ?         ?            
1 1 1 56  10 10 x 0  ?            ?           297.214   -107.336     ?         ?            ?         ?            
1 1 1 56  10 9  x 0  ?            ?           339.351   15.6592      ?         ?            ?         ?            
1 1 1 56  10 8  x 0  ?            ?           66.2571   8.06607      ?         ?            ?         ?            
1 1 1 56  8  16 x 0  ?            ?           209.348   165.169      ?         ?            ?         ?            
1 1 1 56  8  15 x 0  ?            ?           245.796   -80.5764     ?         ?            ?         ?            
1 1 1 56  8  14 x 0  ?            ?           252.784   -119.422     ?         ?            ?         ?            
1 1 1 56  8  13 x 0  ?            ?           260.916   142.329      ?         ?            ?         ?            
1 1 1 56  8  12 x 0  ?            ?           472.292   -162.501     ?         ?            ?         ?            
1 1 1 56  8  11 x 0  ?            ?           216.008   137.701      ?         ?            ?         ?            
1 1 1 56  6  18 x 0  ?            ?           171.609   63.876       ?         ?            ?         ?            
1 1 1 56  6  17 x 0  ?            ?           206.752   52.1303      ?         ?            ?         ?            
1 1 1 56  6  16 x 0  ?            ?           256.998   178.775      ?         ?            ?         ?            
1 1 1 56  6  15 x 0  ?            ?           235.828   28.9948      ?         ?            ?         ?            
1 1 1 56  6  14 x 0  ?            ?           167.769   -108.78      ?         ?            ?         ?            
1 1 1 56  6  13 x 0  ?            ?           52.4574   -155.681     ?         ?            ?         ?            
1 1 1 56  4  19 x 0  ?            ?           288.112   -158.29      ?         ?            ?         ?            
1 1 1 56  4  18 x 0  ?            ?           9.85276   -0.307249    ?         ?            ?         ?            
1 1 1 56  4  17 x 0  ?            ?           109.971   131.105      ?         ?            ?         ?            
1 1 1 56  4  16 x 0  ?            ?           485.038   -53.3224     ?         ?            ?         ?            
1 1 1 56  4  15 x 0  ?            ?           47.8393   93.6726      ?         ?            ?         ?            
1 1 1 56  4  14 x 0  ?            ?           275.413   -128.216     ?         ?            ?         ?            
1 1 1 56  2  20 x 0  ?            ?           88.718    92.8956      ?         ?            ?         ?            
1 1 1 56  2  19 x 0  ?            ?           188.272   -174.393     ?         ?            ?         ?            
1 1 1 56  2  18 x 0  ?            ?           98.002    -81.1111     ?         ?            ?         ?            
1 1 1 56  2  17 x 0  ?            ?           113.414   126.107      ?         ?            ?         ?            
1 1 1 56  2  16 x 0  ?            ?           85.1537   -150.276     ?         ?            ?         ?            
1 1 1 56  2  15 x 0  ?            ?           198.917   150.819      ?         ?            ?         ?            
1 1 1 56  0  20 x 0  ?            ?           77.032    0            ?         ?            ?         ?            
1 1 1 56  0  19 x 0  ?            ?           27.9742   180          ?         ?            ?         ?            
1 1 1 56  0  18 x 0  ?            ?           96.968    0            ?         ?            ?         ?            
1 1 1 56  0  17 x 0  ?            ?           239.682   0            ?         ?            ?         ?            
1 1 1 56  0  16 x 0  ?            ?           254.722   0            ?         ?            ?         ?            
1 1 1 56  0  15 x 0  ?            ?           251.167   0            ?         ?            ?         ?            
1 1 1 57  11 11 x 0  ?            ?           160.823   -156.79      ?         ?            ?         ?            
1 1 1 57  11 10 x 0  ?            ?           55.3567   -79.9741     ?         ?            ?         ?            
1 1 1 57  11 9  x 0  ?            ?           256.207   139.789      ?         ?            ?         ?            
1 1 1 57  11 8  x 0  ?            ?           117.182   15.1735      ?         ?            ?         ?            
1 1 1 57  11 7  x 0  ?            ?           243.076   -152.45      ?         ?            ?         ?            
1 1 1 57  11 6  x 0  ?            ?           250.37    102.429      ?         ?            ?         ?            
1 1 1 57  9  15 x 0  ?            ?           101.65    160.728      ?         ?            ?         ?            
1 1 1 57  9  14 x 0  ?            ?           56.1186   96.2289      ?         ?            ?         ?            
1 1 1 57  9  13 x 0  ?            ?           199.081   120.166      ?         ?            ?         ?            
1 1 1 57  9  12 x 0  ?            ?           249.146   32.0839      ?         ?            ?         ?            
1 1 1 57  9  11 x 0  ?            ?           195.118   -54.4268     ?         ?            ?         ?            
1 1 1 57  9  10 x 0  ?            ?           319.434   -7.43721     ?         ?            ?         ?            
1 1 1 57  9  9  x 0  ?            ?           160.591   -62.8188     ?         ?            ?         ?            
1 1 1 57  7  17 x 0  ?            ?           159.619   119.938      ?         ?            ?         ?            
1 1 1 57  7  16 x 0  ?            ?           332.532   -26.9173     ?         ?            ?         ?            
1 1 1 57  7  15 x 0  ?            ?           158.166   -149.313     ?         ?            ?         ?            
1 1 1 57  7  14 x 0  ?            ?           373.995   56.7568      ?         ?            ?         ?            
1 1 1 57  7  13 x 0  ?            ?           156.682   174.228      ?         ?            ?         ?            
1 1 1 57  7  12 x 0  ?            ?           551.052   -14.8592     ?         ?            ?         ?            
1 1 1 57  5  18 x 0  ?            ?           117.327   27.4488      ?         ?            ?         ?            
1 1 1 57  5  17 x 0  ?            ?           103.317   130.8        ?         ?            ?         ?            
1 1 1 57  5  16 x 0  ?            ?           326.457   62.7113      ?         ?            ?         ?            
1 1 1 57  5  15 x 0  ?            ?           223.687   -102.134     ?         ?            ?         ?            
1 1 1 57  5  14 x 0  ?            ?           215.757   140.067      ?         ?            ?         ?            
1 1 1 57  5  13 x 0  ?            ?           248.984   59.8166      ?         ?            ?         ?            
1 1 1 57  3  19 x 0  ?            ?           158.696   61.6643      ?         ?            ?         ?            
1 1 1 57  3  18 x 0  ?            ?           95.4768   -178.334     ?         ?            ?         ?            
1 1 1 57  3  17 x 0  ?            ?           141.332   -88.4802     ?         ?            ?         ?            
1 1 1 57  3  15 x 0  ?            ?           340.857   30.4847      ?         ?            ?         ?            
1 1 1 57  3  14 x 0  ?            ?           192.117   100.204      ?         ?            ?         ?            
1 1 1 57  1  20 x 0  ?            ?           123.072   140.005      ?         ?            ?         ?            
1 1 1 57  1  19 x 0  ?            ?           74.7666   143.643      ?         ?            ?         ?            
1 1 1 57  1  18 x 0  ?            ?           162.724   80.9721      ?         ?            ?         ?            
1 1 1 57  1  17 x 0  ?            ?           163.213   164.836      ?         ?            ?         ?            
1 1 1 57  1  16 x 0  ?            ?           248.382   -150.764     ?         ?            ?         ?            
1 1 1 57  1  15 x 0  ?            ?           340.671   -1.7801      ?         ?            ?         ?            
1 1 1 58  12 6  x 0  ?            ?           80.6262   -167.533     ?         ?            ?         ?            
1 1 1 58  12 5  x 0  ?            ?           199.668   -110.993     ?         ?            ?         ?            
1 1 1 58  12 4  x 0  ?            ?           133.553   58.3375      ?         ?            ?         ?            
1 1 1 58  12 3  x 0  ?            ?           176.735   -53.5844     ?         ?            ?         ?            
1 1 1 58  12 2  x 0  ?            ?           90.5051   -13.1742     ?         ?            ?         ?            
1 1 1 58  12 1  x 0  ?            ?           280.973   91.1441      ?         ?            ?         ?            
1 1 1 58  10 12 x 0  ?            ?           94.7834   150.686      ?         ?            ?         ?            
1 1 1 58  10 11 x 0  ?            ?           91.5695   71.0106      ?         ?            ?         ?            
1 1 1 58  10 10 x 0  ?            ?           22.5134   -56.1117     ?         ?            ?         ?            
1 1 1 58  10 9  x 0  ?            ?           219.464   -151.079     ?         ?            ?         ?            
1 1 1 58  10 8  x 0  ?            ?           310.906   -124.992     ?         ?            ?         ?            
1 1 1 58  10 7  x 0  ?            ?           153.13    58.543       ?         ?            ?         ?            
1 1 1 58  8  16 x 0  ?            ?           53.1981   128.148      ?         ?            ?         ?            
1 1 1 58  8  15 x 0  ?            ?           274.914   57.3333      ?         ?            ?         ?            
1 1 1 58  8  14 x 0  ?            ?           129.401   -97.4212     ?         ?            ?         ?            
1 1 1 58  8  13 x 0  ?            ?           422.757   -48.0347     ?         ?            ?         ?            
1 1 1 58  8  12 x 0  ?            ?           293.49    153.399      ?         ?            ?         ?            
1 1 1 58  8  11 x 0  ?            ?           170.27    -48.2264     ?         ?            ?         ?            
1 1 1 58  8  10 x 0  ?            ?           436.13    -117.328     ?         ?            ?         ?            
1 1 1 58  6  17 x 0  ?            ?           178.47    -103.816     ?         ?            ?         ?            
1 1 1 58  6  16 x 0  ?            ?           190.102   119.32       ?         ?            ?         ?            
1 1 1 58  6  15 x 0  ?            ?           63.8405   28.8453      ?         ?            ?         ?            
1 1 1 58  6  14 x 0  ?            ?           185.429   -114.368     ?         ?            ?         ?            
1 1 1 58  6  13 x 0  ?            ?           222.348   -82.7785     ?         ?            ?         ?            
1 1 1 58  4  19 x 0  ?            ?           61.5739   -74.6877     ?         ?            ?         ?            
1 1 1 58  4  18 x 0  ?            ?           221.498   -16.3178     ?         ?            ?         ?            
1 1 1 58  4  17 x 0  ?            ?           72.7518   130.876      ?         ?            ?         ?            
1 1 1 58  4  16 x 0  ?            ?           250.894   162.117      ?         ?            ?         ?            
1 1 1 58  4  15 x 0  ?            ?           328.331   135.298      ?         ?            ?         ?            
1 1 1 58  4  13 x 0  ?            ?           211.927   -72.3167     ?         ?            ?         ?            
1 1 1 58  2  19 x 0  ?            ?           114.535   -9.45148     ?         ?            ?         ?            
1 1 1 58  2  17 x 0  ?            ?           95.2315   -139.335     ?         ?            ?         ?            
1 1 1 58  2  16 x 0  ?            ?           390.039   -15.9467     ?         ?            ?         ?            
1 1 1 58  2  15 x 0  ?            ?           89.7271   -141.613     ?         ?            ?         ?            
1 1 1 58  2  14 x 0  ?            ?           548.912   -26.3102     ?         ?            ?         ?            
1 1 1 58  0  20 x 0  ?            ?           64.7961   180          ?         ?            ?         ?            
1 1 1 58  0  19 x 0  ?            ?           33.2808   0            ?         ?            ?         ?            
1 1 1 58  0  18 x 0  ?            ?           132.124   180          ?         ?            ?         ?            
1 1 1 58  0  17 x 0  ?            ?           204.648   180          ?         ?            ?         ?            
1 1 1 58  0  16 x 0  ?            ?           1.44709   180          ?         ?            ?         ?            
1 1 1 58  0  15 x 0  ?            ?           199.532   180          ?         ?            ?         ?            
1 1 1 58  0  14 x 0  ?            ?           180.364   0            ?         ?            ?         ?            
1 1 1 59  11 9  x 0  ?            ?           263.82    -25.8706     ?         ?            ?         ?            
1 1 1 59  11 8  x 0  ?            ?           145.391   -66.471      ?         ?            ?         ?            
1 1 1 59  11 7  x 0  ?            ?           168.419   -161.235     ?         ?            ?         ?            
1 1 1 59  11 6  x 0  ?            ?           86.2319   -87.7504     ?         ?            ?         ?            
1 1 1 59  11 5  x 0  ?            ?           62.7634   -20.0871     ?         ?            ?         ?            
1 1 1 59  11 4  x 0  ?            ?           114.043   24.3244      ?         ?            ?         ?            
1 1 1 59  9  14 x 0  ?            ?           186.812   -16.1203     ?         ?            ?         ?            
1 1 1 59  9  13 x 0  ?            ?           295.603   78.6123      ?         ?            ?         ?            
1 1 1 59  9  12 x 0  ?            ?           152.901   -56.7305     ?         ?            ?         ?            
1 1 1 59  9  11 x 0  ?            ?           93.8713   145.193      ?         ?            ?         ?            
1 1 1 59  9  10 x 0  ?            ?           116.995   114.542      ?         ?            ?         ?            
1 1 1 59  9  9  x 0  ?            ?           58.3912   -87.2501     ?         ?            ?         ?            
1 1 1 59  9  8  x 0  ?            ?           66.9595   125.288      ?         ?            ?         ?            
1 1 1 59  7  16 x 0  ?            ?           172.348   -69.8194     ?         ?            ?         ?            
1 1 1 59  7  15 x 0  ?            ?           54.2687   -132.815     ?         ?            ?         ?            
1 1 1 59  7  14 x 0  ?            ?           147.578   -176.368     ?         ?            ?         ?            
1 1 1 59  7  13 x 0  ?            ?           148.649   105.925      ?         ?            ?         ?            
1 1 1 59  7  11 x 0  ?            ?           447.611   171.255      ?         ?            ?         ?            
1 1 1 59  5  18 x 0  ?            ?           236.469   -173.669     ?         ?            ?         ?            
1 1 1 59  5  17 x 0  ?            ?           47.067    -153.308     ?         ?            ?         ?            
1 1 1 59  5  16 x 0  ?            ?           106.077   -22.2172     ?         ?            ?         ?            
1 1 1 59  5  14 x 0  ?            ?           107.299   67.6773      ?         ?            ?         ?            
1 1 1 59  5  13 x 0  ?            ?           143.621   105.913      ?         ?            ?         ?            
1 1 1 59  5  12 x 0  ?            ?           376.907   151.834      ?         ?            ?         ?            
1 1 1 59  3  19 x 0  ?            ?           66.6199   -97.9883     ?         ?            ?         ?            
1 1 1 59  3  18 x 0  ?            ?           100.713   148.585      ?         ?            ?         ?            
1 1 1 59  3  17 x 0  ?            ?           20.591    76.0737      ?         ?            ?         ?            
1 1 1 59  3  16 x 0  ?            ?           284.47    84.2116      ?         ?            ?         ?            
1 1 1 59  3  15 x 0  ?            ?           46.1553   95.3642      ?         ?            ?         ?            
1 1 1 59  3  14 x 0  ?            ?           243.339   126.549      ?         ?            ?         ?            
1 1 1 59  3  13 x 0  ?            ?           227.736   -112.601     ?         ?            ?         ?            
1 1 1 59  1  19 x 0  ?            ?           52.1272   39.2305      ?         ?            ?         ?            
1 1 1 59  1  18 x 0  ?            ?           67.6868   92.1243      ?         ?            ?         ?            
1 1 1 59  1  17 x 0  ?            ?           29.3267   -56.894      ?         ?            ?         ?            
1 1 1 59  1  16 x 0  ?            ?           127.685   109.707      ?         ?            ?         ?            
1 1 1 59  1  15 x 0  ?            ?           260.41    60.6906      ?         ?            ?         ?            
1 1 1 59  1  14 x 0  ?            ?           373.206   173.379      ?         ?            ?         ?            
1 1 1 60  10 11 x 0  ?            ?           157.433   -176.676     ?         ?            ?         ?            
1 1 1 60  10 10 x 0  ?            ?           121.804   61.1343      ?         ?            ?         ?            
1 1 1 60  10 9  x 0  ?            ?           88.3861   118.173      ?         ?            ?         ?            
1 1 1 60  10 8  x 0  ?            ?           454.63    60.2241      ?         ?            ?         ?            
1 1 1 60  10 7  x 0  ?            ?           115.323   -105.526     ?         ?            ?         ?            
1 1 1 60  10 6  x 0  ?            ?           70.2242   -23.8398     ?         ?            ?         ?            
1 1 1 60  8  15 x 0  ?            ?           151.84    -131.926     ?         ?            ?         ?            
1 1 1 60  8  14 x 0  ?            ?           221.545   110.569      ?         ?            ?         ?            
1 1 1 60  8  13 x 0  ?            ?           120.235   118.217      ?         ?            ?         ?            
1 1 1 60  8  12 x 0  ?            ?           303.063   -31.5433     ?         ?            ?         ?            
1 1 1 60  8  11 x 0  ?            ?           108.118   81.6441      ?         ?            ?         ?            
1 1 1 60  8  10 x 0  ?            ?           385.661   109.463      ?         ?            ?         ?            
1 1 1 60  8  9  x 0  ?            ?           338.391   77.3269      ?         ?            ?         ?            
1 1 1 60  6  17 x 0  ?            ?           77.8359   65.7498      ?         ?            ?         ?            
1 1 1 60  6  16 x 0  ?            ?           143.851   -107.969     ?         ?            ?         ?            
1 1 1 60  6  15 x 0  ?            ?           172.72    -129.67      ?         ?            ?         ?            
1 1 1 60  6  14 x 0  ?            ?           124.322   93.2418      ?         ?            ?         ?            
1 1 1 60  6  13 x 0  ?            ?           154.993   8.74255      ?         ?            ?         ?            
1 1 1 60  6  12 x 0  ?            ?           282.525   5.32235      ?         ?            ?         ?            
1 1 1 60  6  11 x 0  ?            ?           273.876   41.494       ?         ?            ?         ?            
1 1 1 60  4  18 x 0  ?            ?           118.522   -179.746     ?         ?            ?         ?            
1 1 1 60  4  16 x 0  ?            ?           199.948   -60.5646     ?         ?            ?         ?            
1 1 1 60  4  15 x 0  ?            ?           125.966   31.1715      ?         ?            ?         ?            
1 1 1 60  4  14 x 0  ?            ?           23.2703   -37.751      ?         ?            ?         ?            
1 1 1 60  4  13 x 0  ?            ?           229.031   168.567      ?         ?            ?         ?            
1 1 1 60  2  19 x 0  ?            ?           135.251   -123.482     ?         ?            ?         ?            
1 1 1 60  2  18 x 0  ?            ?           146.768   -40.1286     ?         ?            ?         ?            
1 1 1 60  2  17 x 0  ?            ?           69.53     70.4385      ?         ?            ?         ?            
1 1 1 60  2  15 x 0  ?            ?           344.968   171.209      ?         ?            ?         ?            
1 1 1 60  2  14 x 0  ?            ?           143.157   82.6853      ?         ?            ?         ?            
1 1 1 60  2  13 x 0  ?            ?           284.205   129.989      ?         ?            ?         ?            
1 1 1 60  0  19 x 0  ?            ?           80.0079   0            ?         ?            ?         ?            
1 1 1 60  0  18 x 0  ?            ?           79.2366   180          ?         ?            ?         ?            
1 1 1 60  0  17 x 0  ?            ?           182.926   0            ?         ?            ?         ?            
1 1 1 60  0  15 x 0  ?            ?           1.19214   0            ?         ?            ?         ?            
1 1 1 60  0  14 x 0  ?            ?           151.407   0            ?         ?            ?         ?            
1 1 1 61  11 8  x 0  ?            ?           112.12    117.687      ?         ?            ?         ?            
1 1 1 61  11 7  x 0  ?            ?           186.408   -12.9949     ?         ?            ?         ?            
1 1 1 61  11 5  x 0  ?            ?           98.253    -39.2016     ?         ?            ?         ?            
1 1 1 61  11 4  x 0  ?            ?           162.208   -172.137     ?         ?            ?         ?            
1 1 1 61  11 3  x 0  ?            ?           255.288   -146.903     ?         ?            ?         ?            
1 1 1 61  11 2  x 0  ?            ?           414.089   -96.0249     ?         ?            ?         ?            
1 1 1 61  9  13 x 0  ?            ?           198.966   -102.794     ?         ?            ?         ?            
1 1 1 61  9  12 x 0  ?            ?           150.783   140.279      ?         ?            ?         ?            
1 1 1 61  9  11 x 0  ?            ?           15.4653   53.0275      ?         ?            ?         ?            
1 1 1 61  9  10 x 0  ?            ?           110.767   -57.6368     ?         ?            ?         ?            
1 1 1 61  9  9  x 0  ?            ?           199.481   144.584      ?         ?            ?         ?            
1 1 1 61  9  8  x 0  ?            ?           216.907   146.026      ?         ?            ?         ?            
1 1 1 61  7  15 x 0  ?            ?           222.365   17.9045      ?         ?            ?         ?            
1 1 1 61  7  14 x 0  ?            ?           168.349   -69.4011     ?         ?            ?         ?            
1 1 1 61  7  13 x 0  ?            ?           258.716   -21.0482     ?         ?            ?         ?            
1 1 1 61  7  12 x 0  ?            ?           257.158   -102.44      ?         ?            ?         ?            
1 1 1 61  7  11 x 0  ?            ?           198.346   62.995       ?         ?            ?         ?            
1 1 1 61  7  10 x 0  ?            ?           151.021   12.7182      ?         ?            ?         ?            
1 1 1 61  5  17 x 0  ?            ?           32.8075   177.707      ?         ?            ?         ?            
1 1 1 61  5  16 x 0  ?            ?           108.826   163          ?         ?            ?         ?            
1 1 1 61  5  15 x 0  ?            ?           89.1592   -45.5816     ?         ?            ?         ?            
1 1 1 61  5  14 x 0  ?            ?           65.1678   -156.311     ?         ?            ?         ?            
1 1 1 61  5  13 x 0  ?            ?           285.523   -52.6271     ?         ?            ?         ?            
1 1 1 61  5  12 x 0  ?            ?           74.3767   103.531      ?         ?            ?         ?            
1 1 1 61  3  17 x 0  ?            ?           122.368   -37.2052     ?         ?            ?         ?            
1 1 1 61  3  16 x 0  ?            ?           146.512   172.709      ?         ?            ?         ?            
1 1 1 61  3  15 x 0  ?            ?           300.383   -75.4267     ?         ?            ?         ?            
1 1 1 61  3  14 x 0  ?            ?           12.4355   94.1662      ?         ?            ?         ?            
1 1 1 61  3  13 x 0  ?            ?           121.416   -47.6023     ?         ?            ?         ?            
1 1 1 61  1  19 x 0  ?            ?           164.664   159.793      ?         ?            ?         ?            
1 1 1 61  1  18 x 0  ?            ?           257.564   -87.223      ?         ?            ?         ?            
1 1 1 61  1  17 x 0  ?            ?           37.2969   75.8279      ?         ?            ?         ?            
1 1 1 61  1  16 x 0  ?            ?           111.609   -162.957     ?         ?            ?         ?            
1 1 1 61  1  15 x 0  ?            ?           162.281   -59.0175     ?         ?            ?         ?            
1 1 1 61  1  14 x 0  ?            ?           159.537   -38.8066     ?         ?            ?         ?            
1 1 1 61  1  13 x 0  ?            ?           318.535   -101.321     ?         ?            ?         ?            
1 1 1 62  10 8  x 0  ?            ?           138.096   -36.1669     ?         ?            ?         ?            
1 1 1 62  10 7  x 0  ?            ?           183.748   -104.745     ?         ?            ?         ?            
1 1 1 62  10 6  x 0  ?            ?           237.743   76.7062      ?         ?            ?         ?            
1 1 1 62  10 5  x 0  ?            ?           132.541   -103.366     ?         ?            ?         ?            
1 1 1 62  10 4  x 0  ?            ?           124.014   -134.164     ?         ?            ?         ?            
1 1 1 62  8  14 x 0  ?            ?           267.297   -20.2902     ?         ?            ?         ?            
1 1 1 62  8  13 x 0  ?            ?           165.418   154.885      ?         ?            ?         ?            
1 1 1 62  8  12 x 0  ?            ?           151.53    103.479      ?         ?            ?         ?            
1 1 1 62  8  11 x 0  ?            ?           84.1526   -144.92      ?         ?            ?         ?            
1 1 1 62  8  10 x 0  ?            ?           234.352   14.6181      ?         ?            ?         ?            
1 1 1 62  8  9  x 0  ?            ?           363.744   -83.4118     ?         ?            ?         ?            
1 1 1 62  8  8  x 0  ?            ?           289.796   -55.88       ?         ?            ?         ?            
1 1 1 62  6  16 x 0  ?            ?           239.165   61.9547      ?         ?            ?         ?            
1 1 1 62  6  15 x 0  ?            ?           7.79656   155.438      ?         ?            ?         ?            
1 1 1 62  6  13 x 0  ?            ?           261.145   132.713      ?         ?            ?         ?            
1 1 1 62  6  12 x 0  ?            ?           102.561   175.742      ?         ?            ?         ?            
1 1 1 62  6  11 x 0  ?            ?           186.983   -72.6835     ?         ?            ?         ?            
1 1 1 62  6  10 x 0  ?            ?           120.187   4.9659       ?         ?            ?         ?            
1 1 1 62  4  17 x 0  ?            ?           99.356    -47.2385     ?         ?            ?         ?            
1 1 1 62  4  16 x 0  ?            ?           123.636   -19.6996     ?         ?            ?         ?            
1 1 1 62  4  15 x 0  ?            ?           195.482   101.605      ?         ?            ?         ?            
1 1 1 62  4  14 x 0  ?            ?           133.331   -137.481     ?         ?            ?         ?            
1 1 1 62  4  13 x 0  ?            ?           385.915   89.5666      ?         ?            ?         ?            
1 1 1 62  4  12 x 0  ?            ?           75.1784   63.0774      ?         ?            ?         ?            
1 1 1 62  2  18 x 0  ?            ?           182.656   103.262      ?         ?            ?         ?            
1 1 1 62  2  17 x 0  ?            ?           218.397   -160.207     ?         ?            ?         ?            
1 1 1 62  2  16 x 0  ?            ?           74.9238   126.051      ?         ?            ?         ?            
1 1 1 62  2  15 x 0  ?            ?           44.589    32.6195      ?         ?            ?         ?            
1 1 1 62  2  14 x 0  ?            ?           168.216   -83.4639     ?         ?            ?         ?            
1 1 1 62  2  13 x 0  ?            ?           330.564   27.091       ?         ?            ?         ?            
1 1 1 62  2  12 x 0  ?            ?           194.771   -42.2754     ?         ?            ?         ?            
1 1 1 62  0  18 x 0  ?            ?           100.364   180          ?         ?            ?         ?            
1 1 1 62  0  17 x 0  ?            ?           16.5252   0            ?         ?            ?         ?            
1 1 1 62  0  16 x 0  ?            ?           126.442   180          ?         ?            ?         ?            
1 1 1 62  0  15 x 0  ?            ?           84.6234   180          ?         ?            ?         ?            
1 1 1 62  0  14 x 0  ?            ?           280.723   180          ?         ?            ?         ?            
1 1 1 62  0  13 x 0  ?            ?           3.28683   0            ?         ?            ?         ?            
1 1 1 63  9  12 x 0  ?            ?           63.0118   87.6657      ?         ?            ?         ?            
1 1 1 63  9  11 x 0  ?            ?           48.7432   -13.6738     ?         ?            ?         ?            
1 1 1 63  9  10 x 0  ?            ?           117.885   -93.8556     ?         ?            ?         ?            
1 1 1 63  9  9  x 0  ?            ?           135.777   -133.971     ?         ?            ?         ?            
1 1 1 63  9  8  x 0  ?            ?           299.033   -140.618     ?         ?            ?         ?            
1 1 1 63  9  7  x 0  ?            ?           205.46    -124.294     ?         ?            ?         ?            
1 1 1 63  9  6  x 0  ?            ?           129.035   -15.0607     ?         ?            ?         ?            
1 1 1 63  7  15 x 0  ?            ?           178.269   147.674      ?         ?            ?         ?            
1 1 1 63  7  14 x 0  ?            ?           152.919   164.515      ?         ?            ?         ?            
1 1 1 63  7  13 x 0  ?            ?           229.7     -46.3681     ?         ?            ?         ?            
1 1 1 63  7  12 x 0  ?            ?           210.07    -175.088     ?         ?            ?         ?            
1 1 1 63  7  11 x 0  ?            ?           71.5692   -148.357     ?         ?            ?         ?            
1 1 1 63  7  10 x 0  ?            ?           404.935   -141.968     ?         ?            ?         ?            
1 1 1 63  5  16 x 0  ?            ?           170.558   10.3231      ?         ?            ?         ?            
1 1 1 63  5  15 x 0  ?            ?           125.143   171.108      ?         ?            ?         ?            
1 1 1 63  5  14 x 0  ?            ?           245.353   135.753      ?         ?            ?         ?            
1 1 1 63  5  13 x 0  ?            ?           37.3304   59.7805      ?         ?            ?         ?            
1 1 1 63  5  12 x 0  ?            ?           225.337   -90.2817     ?         ?            ?         ?            
1 1 1 63  5  11 x 0  ?            ?           142.152   153.325      ?         ?            ?         ?            
1 1 1 63  3  18 x 0  ?            ?           41.1389   -73.7271     ?         ?            ?         ?            
1 1 1 63  3  17 x 0  ?            ?           57.7667   -178.596     ?         ?            ?         ?            
1 1 1 63  3  16 x 0  ?            ?           35.667    -143.803     ?         ?            ?         ?            
1 1 1 63  3  15 x 0  ?            ?           209.327   83.3683      ?         ?            ?         ?            
1 1 1 63  3  14 x 0  ?            ?           237.746   45.2053      ?         ?            ?         ?            
1 1 1 63  3  13 x 0  ?            ?           348.232   -74.2961     ?         ?            ?         ?            
1 1 1 63  3  12 x 0  ?            ?           136.314   -117.178     ?         ?            ?         ?            
1 1 1 63  1  18 x 0  ?            ?           105.453   11.672       ?         ?            ?         ?            
1 1 1 63  1  17 x 0  ?            ?           263.126   139.748      ?         ?            ?         ?            
1 1 1 63  1  16 x 0  ?            ?           143.962   -58.8119     ?         ?            ?         ?            
1 1 1 63  1  15 x 0  ?            ?           36.329    -84.9761     ?         ?            ?         ?            
1 1 1 63  1  14 x 0  ?            ?           318.306   54.8263      ?         ?            ?         ?            
1 1 1 63  1  13 x 0  ?            ?           126.494   -3.01499     ?         ?            ?         ?            
1 1 1 63  1  12 x 0  ?            ?           193.992   171.422      ?         ?            ?         ?            
1 1 1 64  10 8  x 0  ?            ?           177.332   63.6796      ?         ?            ?         ?            
1 1 1 64  10 7  x 0  ?            ?           219.294   121.411      ?         ?            ?         ?            
1 1 1 64  10 5  x 0  ?            ?           285.25    -98.9863     ?         ?            ?         ?            
1 1 1 64  10 4  x 0  ?            ?           327.456   5.5838       ?         ?            ?         ?            
1 1 1 64  10 3  x 0  ?            ?           110.8     -143.814     ?         ?            ?         ?            
1 1 1 64  10 2  x 0  ?            ?           118.635   -161.704     ?         ?            ?         ?            
1 1 1 64  8  13 x 0  ?            ?           58.6846   -139.228     ?         ?            ?         ?            
1 1 1 64  8  12 x 0  ?            ?           204.498   -59.0241     ?         ?            ?         ?            
1 1 1 64  8  11 x 0  ?            ?           65.2983   68.0334      ?         ?            ?         ?            
1 1 1 64  8  10 x 0  ?            ?           100.925   124.278      ?         ?            ?         ?            
1 1 1 64  8  9  x 0  ?            ?           387.711   122.209      ?         ?            ?         ?            
1 1 1 64  8  8  x 0  ?            ?           393.88    80.3645      ?         ?            ?         ?            
1 1 1 64  8  7  x 0  ?            ?           411.404   -10.6581     ?         ?            ?         ?            
1 1 1 64  6  15 x 0  ?            ?           78.5535   -68.3507     ?         ?            ?         ?            
1 1 1 64  6  14 x 0  ?            ?           71.0218   -114.876     ?         ?            ?         ?            
1 1 1 64  6  13 x 0  ?            ?           60.5359   -156.749     ?         ?            ?         ?            
1 1 1 64  6  12 x 0  ?            ?           163.836   16.4854      ?         ?            ?         ?            
1 1 1 64  6  11 x 0  ?            ?           288.095   144.285      ?         ?            ?         ?            
1 1 1 64  6  10 x 0  ?            ?           235.862   51.454       ?         ?            ?         ?            
1 1 1 64  6  9  x 0  ?            ?           235.213   -97.7007     ?         ?            ?         ?            
1 1 1 64  4  17 x 0  ?            ?           197.759   104.177      ?         ?            ?         ?            
1 1 1 64  4  16 x 0  ?            ?           183.505   163.898      ?         ?            ?         ?            
1 1 1 64  4  15 x 0  ?            ?           138.507   -94.3686     ?         ?            ?         ?            
1 1 1 64  4  14 x 0  ?            ?           148.434   62.7964      ?         ?            ?         ?            
1 1 1 64  4  13 x 0  ?            ?           195.971   -56.2447     ?         ?            ?         ?            
1 1 1 64  4  12 x 0  ?            ?           175.702   -128.098     ?         ?            ?         ?            
1 1 1 64  4  11 x 0  ?            ?           572.532   65.8664      ?         ?            ?         ?            
1 1 1 64  2  18 x 0  ?            ?           129.432   35.8242      ?         ?            ?         ?            
1 1 1 64  2  17 x 0  ?            ?           165.984   -32.2185     ?         ?            ?         ?            
1 1 1 64  2  16 x 0  ?            ?           74.7344   0.494534     ?         ?            ?         ?            
1 1 1 64  2  15 x 0  ?            ?           156.403   -46.6432     ?         ?            ?         ?            
1 1 1 64  2  14 x 0  ?            ?           358.186   139.859      ?         ?            ?         ?            
1 1 1 64  2  13 x 0  ?            ?           81.8341   133.24       ?         ?            ?         ?            
1 1 1 64  0  18 x 0  ?            ?           47.6039   180          ?         ?            ?         ?            
1 1 1 64  0  17 x 0  ?            ?           7.51634   0            ?         ?            ?         ?            
1 1 1 64  0  16 x 0  ?            ?           6.7953    0            ?         ?            ?         ?            
1 1 1 64  0  15 x 0  ?            ?           0.0278397 0            ?         ?            ?         ?            
1 1 1 64  0  14 x 0  ?            ?           57.2701   0            ?         ?            ?         ?            
1 1 1 64  0  13 x 0  ?            ?           384.821   180          ?         ?            ?         ?            
1 1 1 64  0  12 x 0  ?            ?           405.916   180          ?         ?            ?         ?            
1 1 1 65  9  10 x 0  ?            ?           214.485   95.885       ?         ?            ?         ?            
1 1 1 65  9  9  x 0  ?            ?           163.56    91.1412      ?         ?            ?         ?            
1 1 1 65  9  8  x 0  ?            ?           224.245   35.4147      ?         ?            ?         ?            
1 1 1 65  9  7  x 0  ?            ?           221.969   47.6363      ?         ?            ?         ?            
1 1 1 65  9  6  x 0  ?            ?           210.727   -147.63      ?         ?            ?         ?            
1 1 1 65  9  5  x 0  ?            ?           93.1854   -44.4111     ?         ?            ?         ?            
1 1 1 65  9  4  x 0  ?            ?           149.495   10.9584      ?         ?            ?         ?            
1 1 1 65  7  14 x 0  ?            ?           86.658    21.8959      ?         ?            ?         ?            
1 1 1 65  7  13 x 0  ?            ?           111.458   139.547      ?         ?            ?         ?            
1 1 1 65  7  12 x 0  ?            ?           216.007   35.4179      ?         ?            ?         ?            
1 1 1 65  7  11 x 0  ?            ?           248.36    -30.0906     ?         ?            ?         ?            
1 1 1 65  7  10 x 0  ?            ?           121.562   53.3256      ?         ?            ?         ?            
1 1 1 65  7  9  x 0  ?            ?           401.388   14.3118      ?         ?            ?         ?            
1 1 1 65  7  8  x 0  ?            ?           100.527   152.397      ?         ?            ?         ?            
1 1 1 65  5  16 x 0  ?            ?           65.4198   158.634      ?         ?            ?         ?            
1 1 1 65  5  15 x 0  ?            ?           197.547   26.9208      ?         ?            ?         ?            
1 1 1 65  5  14 x 0  ?            ?           264.869   -48.3783     ?         ?            ?         ?            
1 1 1 65  5  13 x 0  ?            ?           67.6643   -65.5886     ?         ?            ?         ?            
1 1 1 65  5  12 x 0  ?            ?           177.85    82.0832      ?         ?            ?         ?            
1 1 1 65  5  11 x 0  ?            ?           146.431   -73.3239     ?         ?            ?         ?            
1 1 1 65  5  10 x 0  ?            ?           84.8296   11.813       ?         ?            ?         ?            
1 1 1 65  3  17 x 0  ?            ?           32.5529   32.0424      ?         ?            ?         ?            
1 1 1 65  3  16 x 0  ?            ?           137.961   -30.8648     ?         ?            ?         ?            
1 1 1 65  3  15 x 0  ?            ?           144.714   -166.488     ?         ?            ?         ?            
1 1 1 65  3  14 x 0  ?            ?           339.161   -90.8024     ?         ?            ?         ?            
1 1 1 65  3  12 x 0  ?            ?           407.916   70.3951      ?         ?            ?         ?            
1 1 1 65  3  11 x 0  ?            ?           141.039   -60.0005     ?         ?            ?         ?            
1 1 1 65  1  17 x 0  ?            ?           199.343   -40.8886     ?         ?            ?         ?            
1 1 1 65  1  16 x 0  ?            ?           50.7273   -0.585711    ?         ?            ?         ?            
1 1 1 65  1  15 x 0  ?            ?           220.759   -171.919     ?         ?            ?         ?            
1 1 1 65  1  14 x 0  ?            ?           47.817    -112.098     ?         ?            ?         ?            
1 1 1 65  1  13 x 0  ?            ?           262.453   -62.0242     ?         ?            ?         ?            
1 1 1 65  1  12 x 0  ?            ?           118.178   25.5431      ?         ?            ?         ?            
1 1 1 65  1  11 x 0  ?            ?           232.899   91.8404      ?         ?            ?         ?            
1 1 1 66  10 5  x 0  ?            ?           526.344   116.91       ?         ?            ?         ?            
1 1 1 66  10 4  x 0  ?            ?           172.281   177.421      ?         ?            ?         ?            
1 1 1 66  10 3  x 0  ?            ?           342.678   -50.8609     ?         ?            ?         ?            
1 1 1 66  10 2  x 0  ?            ?           118.278   -43.8563     ?         ?            ?         ?            
1 1 1 66  8  12 x 0  ?            ?           100.015   161.116      ?         ?            ?         ?            
1 1 1 66  8  11 x 0  ?            ?           95.666    -17.2881     ?         ?            ?         ?            
1 1 1 66  8  10 x 0  ?            ?           251.996   -75.7925     ?         ?            ?         ?            
1 1 1 66  8  9  x 0  ?            ?           61.742    -39.8154     ?         ?            ?         ?            
1 1 1 66  8  8  x 0  ?            ?           272.581   -69.0086     ?         ?            ?         ?            
1 1 1 66  8  7  x 0  ?            ?           319.958   -159.459     ?         ?            ?         ?            
1 1 1 66  8  6  x 0  ?            ?           223.465   158.179      ?         ?            ?         ?            
1 1 1 66  8  5  x 0  ?            ?           54.4039   -101.834     ?         ?            ?         ?            
1 1 1 66  6  14 x 0  ?            ?           53.9606   46.0508      ?         ?            ?         ?            
1 1 1 66  6  13 x 0  ?            ?           105.08    58.1787      ?         ?            ?         ?            
1 1 1 66  6  12 x 0  ?            ?           180.29    -108.337     ?         ?            ?         ?            
1 1 1 66  6  11 x 0  ?            ?           165.427   -84.7731     ?         ?            ?         ?            
1 1 1 66  6  10 x 0  ?            ?           85.9988   53.5735      ?         ?            ?         ?            
1 1 1 66  6  9  x 0  ?            ?           178.033   117.459      ?         ?            ?         ?            
1 1 1 66  6  8  x 0  ?            ?           76.8536   44.9401      ?         ?            ?         ?            
1 1 1 66  4  16 x 0  ?            ?           111.677   -49.5556     ?         ?            ?         ?            
1 1 1 66  4  14 x 0  ?            ?           127.149   -150.442     ?         ?            ?         ?            
1 1 1 66  4  13 x 0  ?            ?           116.173   -139.468     ?         ?            ?         ?            
1 1 1 66  4  12 x 0  ?            ?           198.177   116.581      ?         ?            ?         ?            
1 1 1 66  4  11 x 0  ?            ?           30.2385   -115.678     ?         ?            ?         ?            
1 1 1 66  4  10 x 0  ?            ?           386.817   -74.5389     ?         ?            ?         ?            
1 1 1 66  2  17 x 0  ?            ?           75.9069   135.284      ?         ?            ?         ?            
1 1 1 66  2  16 x 0  ?            ?           160.512   -163.404     ?         ?            ?         ?            
1 1 1 66  2  15 x 0  ?            ?           145.938   -25.8447     ?         ?            ?         ?            
1 1 1 66  2  14 x 0  ?            ?           196.971   -28.6726     ?         ?            ?         ?            
1 1 1 66  2  13 x 0  ?            ?           288.416   -71.6072     ?         ?            ?         ?            
1 1 1 66  2  12 x 0  ?            ?           379.898   121.145      ?         ?            ?         ?            
1 1 1 66  2  11 x 0  ?            ?           237.258   -135.018     ?         ?            ?         ?            
1 1 1 66  0  17 x 0  ?            ?           74.2266   180          ?         ?            ?         ?            
1 1 1 66  0  16 x 0  ?            ?           335.458   0            ?         ?            ?         ?            
1 1 1 66  0  15 x 0  ?            ?           58.0472   0            ?         ?            ?         ?            
1 1 1 66  0  14 x 0  ?            ?           210.195   0            ?         ?            ?         ?            
1 1 1 66  0  13 x 0  ?            ?           18.879    180          ?         ?            ?         ?            
1 1 1 66  0  12 x 0  ?            ?           335.826   0            ?         ?            ?         ?            
1 1 1 66  0  11 x 0  ?            ?           77.5853   0            ?         ?            ?         ?            
1 1 1 67  9  8  x 0  ?            ?           123.273   158.482      ?         ?            ?         ?            
1 1 1 67  9  7  x 0  ?            ?           110.215   18.2111      ?         ?            ?         ?            
1 1 1 67  9  6  x 0  ?            ?           157.083   88.7176      ?         ?            ?         ?            
1 1 1 67  9  5  x 0  ?            ?           445.162   5.38118      ?         ?            ?         ?            
1 1 1 67  9  4  x 0  ?            ?           113.853   24.3209      ?         ?            ?         ?            
1 1 1 67  9  2  x 0  ?            ?           203.151   2.10301      ?         ?            ?         ?            
1 1 1 67  7  13 x 0  ?            ?           227.582   -106.973     ?         ?            ?         ?            
1 1 1 67  7  12 x 0  ?            ?           290.524   155.775      ?         ?            ?         ?            
1 1 1 67  7  11 x 0  ?            ?           246.272   139.029      ?         ?            ?         ?            
1 1 1 67  7  10 x 0  ?            ?           52.8424   80.2051      ?         ?            ?         ?            
1 1 1 67  7  9  x 0  ?            ?           200.513   -124.304     ?         ?            ?         ?            
1 1 1 67  7  8  x 0  ?            ?           204.25    134.786      ?         ?            ?         ?            
1 1 1 67  7  7  x 0  ?            ?           175.815   45.5371      ?         ?            ?         ?            
1 1 1 67  7  6  x 0  ?            ?           87.755    117.544      ?         ?            ?         ?            
1 1 1 67  5  15 x 0  ?            ?           35.8047   -51.512      ?         ?            ?         ?            
1 1 1 67  5  14 x 0  ?            ?           163.376   129.92       ?         ?            ?         ?            
1 1 1 67  5  13 x 0  ?            ?           166.183   89.5018      ?         ?            ?         ?            
1 1 1 67  5  12 x 0  ?            ?           216.75    -146.735     ?         ?            ?         ?            
1 1 1 67  5  11 x 0  ?            ?           270.796   -168.676     ?         ?            ?         ?            
1 1 1 67  5  10 x 0  ?            ?           247.447   35.4712      ?         ?            ?         ?            
1 1 1 67  5  9  x 0  ?            ?           364.215   -113.403     ?         ?            ?         ?            
1 1 1 67  5  8  x 0  ?            ?           159.085   137.857      ?         ?            ?         ?            
1 1 1 67  3  16 x 0  ?            ?           87.749    140.12       ?         ?            ?         ?            
1 1 1 67  3  15 x 0  ?            ?           174.161   91.4296      ?         ?            ?         ?            
1 1 1 67  3  14 x 0  ?            ?           7.84997   70.7669      ?         ?            ?         ?            
1 1 1 67  3  13 x 0  ?            ?           81.0665   167.078      ?         ?            ?         ?            
1 1 1 67  3  12 x 0  ?            ?           295.666   -102.385     ?         ?            ?         ?            
1 1 1 67  3  11 x 0  ?            ?           88.9265   -1.38522     ?         ?            ?         ?            
1 1 1 67  3  10 x 0  ?            ?           253.999   -136.038     ?         ?            ?         ?            
1 1 1 67  1  17 x 0  ?            ?           122.933   39.3131      ?         ?            ?         ?            
1 1 1 67  1  16 x 0  ?            ?           324.557   156.525      ?         ?            ?         ?            
1 1 1 67  1  15 x 0  ?            ?           19.2785   167.216      ?         ?            ?         ?            
1 1 1 67  1  14 x 0  ?            ?           375.221   170.357      ?         ?            ?         ?            
1 1 1 67  1  13 x 0  ?            ?           238.465   124.76       ?         ?            ?         ?            
1 1 1 67  1  12 x 0  ?            ?           149.599   -83.9686     ?         ?            ?         ?            
1 1 1 67  1  11 x 0  ?            ?           264.763   13.5183      ?         ?            ?         ?            
1 1 1 67  1  10 x 0  ?            ?           69.2215   49.5414      ?         ?            ?         ?            
1 1 1 68  8  10 x 0  ?            ?           53.6296   142.9        ?         ?            ?         ?            
1 1 1 68  8  9  x 0  ?            ?           64.732    34.4877      ?         ?            ?         ?            
1 1 1 68  8  8  x 0  ?            ?           193.038   -87.0429     ?         ?            ?         ?            
1 1 1 68  8  7  x 0  ?            ?           302.879   107.685      ?         ?            ?         ?            
1 1 1 68  8  5  x 0  ?            ?           10.3759   -41.3931     ?         ?            ?         ?            
1 1 1 68  8  4  x 0  ?            ?           58.6831   -76.987      ?         ?            ?         ?            
1 1 1 68  6  13 x 0  ?            ?           115.115   142.527      ?         ?            ?         ?            
1 1 1 68  6  12 x 0  ?            ?           145.876   15.3613      ?         ?            ?         ?            
1 1 1 68  6  11 x 0  ?            ?           166.272   -1.21925     ?         ?            ?         ?            
1 1 1 68  6  10 x 0  ?            ?           333.924   -125.633     ?         ?            ?         ?            
1 1 1 68  6  9  x 0  ?            ?           309.909   10.7269      ?         ?            ?         ?            
1 1 1 68  6  7  x 0  ?            ?           537.382   98.023       ?         ?            ?         ?            
1 1 1 68  4  15 x 0  ?            ?           267.826   76.2448      ?         ?            ?         ?            
1 1 1 68  4  14 x 0  ?            ?           120.291   -16.9724     ?         ?            ?         ?            
1 1 1 68  4  13 x 0  ?            ?           126.526   51.5716      ?         ?            ?         ?            
1 1 1 68  4  12 x 0  ?            ?           119.519   -18.8809     ?         ?            ?         ?            
1 1 1 68  4  11 x 0  ?            ?           142.089   -62.5317     ?         ?            ?         ?            
1 1 1 68  4  10 x 0  ?            ?           296.922   140.923      ?         ?            ?         ?            
1 1 1 68  4  9  x 0  ?            ?           461.318   66.8027      ?         ?            ?         ?            
1 1 1 68  2  16 x 0  ?            ?           266.736   -31.0077     ?         ?            ?         ?            
1 1 1 68  2  15 x 0  ?            ?           135.619   163.243      ?         ?            ?         ?            
1 1 1 68  2  14 x 0  ?            ?           123.602   -38.2166     ?         ?            ?         ?            
1 1 1 68  2  13 x 0  ?            ?           154.129   71.1752      ?         ?            ?         ?            
1 1 1 68  2  12 x 0  ?            ?           236.792   -38.1238     ?         ?            ?         ?            
1 1 1 68  2  11 x 0  ?            ?           237.795   -120.118     ?         ?            ?         ?            
1 1 1 68  2  10 x 0  ?            ?           382.212   97.9827      ?         ?            ?         ?            
1 1 1 68  0  16 x 0  ?            ?           24.1077   180          ?         ?            ?         ?            
1 1 1 68  0  15 x 0  ?            ?           284.383   180          ?         ?            ?         ?            
1 1 1 68  0  14 x 0  ?            ?           70.1527   0            ?         ?            ?         ?            
1 1 1 68  0  13 x 0  ?            ?           7.38569   180          ?         ?            ?         ?            
1 1 1 68  0  12 x 0  ?            ?           169.669   180          ?         ?            ?         ?            
1 1 1 68  0  11 x 0  ?            ?           60.3067   0            ?         ?            ?         ?            
1 1 1 68  0  10 x 0  ?            ?           249.584   0            ?         ?            ?         ?            
1 1 1 69  9  4  x 0  ?            ?           130.954   128.949      ?         ?            ?         ?            
1 1 1 69  9  3  x 0  ?            ?           227.539   29.2229      ?         ?            ?         ?            
1 1 1 69  7  11 x 0  ?            ?           267.946   -44.9861     ?         ?            ?         ?            
1 1 1 69  7  10 x 0  ?            ?           46.5936   2.85465      ?         ?            ?         ?            
1 1 1 69  7  9  x 0  ?            ?           259.934   147.153      ?         ?            ?         ?            
1 1 1 69  7  8  x 0  ?            ?           211.123   91.9187      ?         ?            ?         ?            
1 1 1 69  7  7  x 0  ?            ?           331.732   -47.1438     ?         ?            ?         ?            
1 1 1 69  7  6  x 0  ?            ?           85.9107   150.638      ?         ?            ?         ?            
1 1 1 69  7  5  x 0  ?            ?           236.129   119.292      ?         ?            ?         ?            
1 1 1 69  5  14 x 0  ?            ?           210.006   36.8354      ?         ?            ?         ?            
1 1 1 69  5  13 x 0  ?            ?           157.039   -69.4578     ?         ?            ?         ?            
1 1 1 69  5  12 x 0  ?            ?           232.73    -26.046      ?         ?            ?         ?            
1 1 1 69  5  11 x 0  ?            ?           141.431   77.6194      ?         ?            ?         ?            
1 1 1 69  5  10 x 0  ?            ?           239.475   86.7592      ?         ?            ?         ?            
1 1 1 69  5  9  x 0  ?            ?           370.482   -110.444     ?         ?            ?         ?            
1 1 1 69  5  8  x 0  ?            ?           294.166   37.3178      ?         ?            ?         ?            
1 1 1 69  5  7  x 0  ?            ?           193.112   -168.796     ?         ?            ?         ?            
1 1 1 69  3  15 x 0  ?            ?           331.732   -77.0773     ?         ?            ?         ?            
1 1 1 69  3  14 x 0  ?            ?           194.595   103.64       ?         ?            ?         ?            
1 1 1 69  3  13 x 0  ?            ?           111.598   -71.6476     ?         ?            ?         ?            
1 1 1 69  3  12 x 0  ?            ?           216.006   109.137      ?         ?            ?         ?            
1 1 1 69  3  11 x 0  ?            ?           269.83    77.1481      ?         ?            ?         ?            
1 1 1 69  3  10 x 0  ?            ?           279.964   -34.1982     ?         ?            ?         ?            
1 1 1 69  3  9  x 0  ?            ?           256.812   -91.9087     ?         ?            ?         ?            
1 1 1 69  1  16 x 0  ?            ?           126.171   -22.6805     ?         ?            ?         ?            
1 1 1 69  1  15 x 0  ?            ?           237.133   3.82169      ?         ?            ?         ?            
1 1 1 69  1  14 x 0  ?            ?           63.4778   -112.187     ?         ?            ?         ?            
1 1 1 69  1  13 x 0  ?            ?           190.682   8.22571      ?         ?            ?         ?            
1 1 1 69  1  12 x 0  ?            ?           263.691   165.206      ?         ?            ?         ?            
1 1 1 69  1  11 x 0  ?            ?           247.928   119.879      ?         ?            ?         ?            
1 1 1 69  1  10 x 0  ?            ?           151.105   -114.427     ?         ?            ?         ?            
1 1 1 69  1  9  x 0  ?            ?           109.798   -97.1214     ?         ?            ?         ?            
1 1 1 70  8  8  x 0  ?            ?           30.3806   -139.373     ?         ?            ?         ?            
1 1 1 70  8  7  x 0  ?            ?           171.451   -23.386      ?         ?            ?         ?            
1 1 1 70  8  6  x 0  ?            ?           413.564   -129.647     ?         ?            ?         ?            
1 1 1 70  8  5  x 0  ?            ?           121.467   -66.8794     ?         ?            ?         ?            
1 1 1 70  8  4  x 0  ?            ?           173.302   18.9059      ?         ?            ?         ?            
1 1 1 70  8  3  x 0  ?            ?           240.291   -65.7373     ?         ?            ?         ?            
1 1 1 70  8  2  x 0  ?            ?           92.9405   -173.648     ?         ?            ?         ?            
1 1 1 70  8  1  x 0  ?            ?           365.368   134.097      ?         ?            ?         ?            
1 1 1 70  6  12 x 0  ?            ?           55.1872   -164.197     ?         ?            ?         ?            
1 1 1 70  6  10 x 0  ?            ?           75.8966   149.312      ?         ?            ?         ?            
1 1 1 70  6  9  x 0  ?            ?           140.935   43.6186      ?         ?            ?         ?            
1 1 1 70  6  8  x 0  ?            ?           195.163   -173.084     ?         ?            ?         ?            
1 1 1 70  6  7  x 0  ?            ?           296.118   -23.3677     ?         ?            ?         ?            
1 1 1 70  6  6  x 0  ?            ?           226.238   -81.1334     ?         ?            ?         ?            
1 1 1 70  6  5  x 0  ?            ?           38.3909   61.5434      ?         ?            ?         ?            
1 1 1 70  4  14 x 0  ?            ?           259.813   -129.334     ?         ?            ?         ?            
1 1 1 70  4  12 x 0  ?            ?           181.008   -81.9894     ?         ?            ?         ?            
1 1 1 70  4  11 x 0  ?            ?           86.679    22.5884      ?         ?            ?         ?            
1 1 1 70  4  9  x 0  ?            ?           144.435   94.1212      ?         ?            ?         ?            
1 1 1 70  4  8  x 0  ?            ?           176.213   178.294      ?         ?            ?         ?            
1 1 1 70  4  7  x 0  ?            ?           111.961   71.8847      ?         ?            ?         ?            
1 1 1 70  2  15 x 0  ?            ?           261.016   129.901      ?         ?            ?         ?            
1 1 1 70  2  14 x 0  ?            ?           115.193   39.109       ?         ?            ?         ?            
1 1 1 70  2  13 x 0  ?            ?           361.646   179.625      ?         ?            ?         ?            
1 1 1 70  2  12 x 0  ?            ?           51.7584   -30.2498     ?         ?            ?         ?            
1 1 1 70  2  11 x 0  ?            ?           124.096   3.22045      ?         ?            ?         ?            
1 1 1 70  2  10 x 0  ?            ?           334.911   -160.593     ?         ?            ?         ?            
1 1 1 70  2  9  x 0  ?            ?           243.835   75.1996      ?         ?            ?         ?            
1 1 1 70  2  8  x 0  ?            ?           50.1778   2.32926      ?         ?            ?         ?            
1 1 1 70  0  15 x 0  ?            ?           18.0489   0            ?         ?            ?         ?            
1 1 1 70  0  14 x 0  ?            ?           107.203   0            ?         ?            ?         ?            
1 1 1 70  0  13 x 0  ?            ?           96.0908   180          ?         ?            ?         ?            
1 1 1 70  0  12 x 0  ?            ?           442.861   0            ?         ?            ?         ?            
1 1 1 70  0  11 x 0  ?            ?           112.929   0            ?         ?            ?         ?            
1 1 1 70  0  10 x 0  ?            ?           298.746   180          ?         ?            ?         ?            
1 1 1 70  0  9  x 0  ?            ?           306.496   0            ?         ?            ?         ?            
1 1 1 71  7  9  x 0  ?            ?           164.913   -116.387     ?         ?            ?         ?            
1 1 1 71  7  8  x 0  ?            ?           211.328   -39.2169     ?         ?            ?         ?            
1 1 1 71  7  7  x 0  ?            ?           150.814   169.027      ?         ?            ?         ?            
1 1 1 71  7  6  x 0  ?            ?           165.349   99.4869      ?         ?            ?         ?            
1 1 1 71  7  5  x 0  ?            ?           273.094   -150.994     ?         ?            ?         ?            
1 1 1 71  7  4  x 0  ?            ?           124.06    -116.687     ?         ?            ?         ?            
1 1 1 71  7  3  x 0  ?            ?           39.7232   163.949      ?         ?            ?         ?            
1 1 1 71  5  12 x 0  ?            ?           312.688   127.929      ?         ?            ?         ?            
1 1 1 71  5  11 x 0  ?            ?           112.525   141.382      ?         ?            ?         ?            
1 1 1 71  5  10 x 0  ?            ?           270.28    -26.638      ?         ?            ?         ?            
1 1 1 71  5  9  x 0  ?            ?           134.254   -137.708     ?         ?            ?         ?            
1 1 1 71  5  8  x 0  ?            ?           25.784    123.091      ?         ?            ?         ?            
1 1 1 71  5  7  x 0  ?            ?           89.5638   -46.5523     ?         ?            ?         ?            
1 1 1 71  5  6  x 0  ?            ?           158.144   43.4275      ?         ?            ?         ?            
1 1 1 71  3  14 x 0  ?            ?           80.87     52.4075      ?         ?            ?         ?            
1 1 1 71  3  13 x 0  ?            ?           391.005   -70.9844     ?         ?            ?         ?            
1 1 1 71  3  12 x 0  ?            ?           120.774   172.622      ?         ?            ?         ?            
1 1 1 71  3  11 x 0  ?            ?           195.546   -170.516     ?         ?            ?         ?            
1 1 1 71  3  10 x 0  ?            ?           242.373   62.5024      ?         ?            ?         ?            
1 1 1 71  3  9  x 0  ?            ?           116.466   27.6761      ?         ?            ?         ?            
1 1 1 71  3  8  x 0  ?            ?           408.567   -106.467     ?         ?            ?         ?            
1 1 1 71  1  15 x 0  ?            ?           109.42    18.445       ?         ?            ?         ?            
1 1 1 71  1  14 x 0  ?            ?           160.067   41.8914      ?         ?            ?         ?            
1 1 1 71  1  13 x 0  ?            ?           188.703   -32.9919     ?         ?            ?         ?            
1 1 1 71  1  12 x 0  ?            ?           154.08    -82.4337     ?         ?            ?         ?            
1 1 1 71  1  11 x 0  ?            ?           140.429   -147.773     ?         ?            ?         ?            
1 1 1 71  1  10 x 0  ?            ?           509.328   26.0792      ?         ?            ?         ?            
1 1 1 71  1  9  x 0  ?            ?           59.9454   67.571       ?         ?            ?         ?            
1 1 1 71  1  8  x 0  ?            ?           342.188   -138.321     ?         ?            ?         ?            
1 1 1 72  6  10 x 0  ?            ?           82.2666   162.476      ?         ?            ?         ?            
1 1 1 72  6  9  x 0  ?            ?           45.3212   -139.424     ?         ?            ?         ?            
1 1 1 72  6  8  x 0  ?            ?           75.4157   -62.188      ?         ?            ?         ?            
1 1 1 72  6  7  x 0  ?            ?           277.063   165.269      ?         ?            ?         ?            
1 1 1 72  6  6  x 0  ?            ?           195.686   147.226      ?         ?            ?         ?            
1 1 1 72  6  5  x 0  ?            ?           251.208   0.543988     ?         ?            ?         ?            
1 1 1 72  6  4  x 0  ?            ?           66.8272   77.1673      ?         ?            ?         ?            
1 1 1 72  4  13 x 0  ?            ?           107.706   84.3501      ?         ?            ?         ?            
1 1 1 72  4  12 x 0  ?            ?           60.7289   38.5324      ?         ?            ?         ?            
1 1 1 72  4  11 x 0  ?            ?           231.372   -152.476     ?         ?            ?         ?            
1 1 1 72  4  10 x 0  ?            ?           273.366   -102.474     ?         ?            ?         ?            
1 1 1 72  4  9  x 0  ?            ?           271.636   -53.5832     ?         ?            ?         ?            
1 1 1 72  4  8  x 0  ?            ?           167.148   81.8448      ?         ?            ?         ?            
1 1 1 72  4  7  x 0  ?            ?           312.536   -158.052     ?         ?            ?         ?            
1 1 1 72  4  6  x 0  ?            ?           449.774   -4.73922     ?         ?            ?         ?            
1 1 1 72  2  14 x 0  ?            ?           345.449   -120.187     ?         ?            ?         ?            
1 1 1 72  2  13 x 0  ?            ?           191.699   77.0628      ?         ?            ?         ?            
1 1 1 72  2  12 x 0  ?            ?           177.997   104.364      ?         ?            ?         ?            
1 1 1 72  2  11 x 0  ?            ?           27.5164   -136.034     ?         ?            ?         ?            
1 1 1 72  2  10 x 0  ?            ?           217.215   -25.7902     ?         ?            ?         ?            
1 1 1 72  2  9  x 0  ?            ?           244.558   -138.104     ?         ?            ?         ?            
1 1 1 72  2  8  x 0  ?            ?           103.038   103.853      ?         ?            ?         ?            
1 1 1 72  0  14 x 0  ?            ?           188.854   180          ?         ?            ?         ?            
1 1 1 72  0  13 x 0  ?            ?           202.618   180          ?         ?            ?         ?            
1 1 1 72  0  12 x 0  ?            ?           267.776   180          ?         ?            ?         ?            
1 1 1 72  0  11 x 0  ?            ?           21.1635   0            ?         ?            ?         ?            
1 1 1 72  0  10 x 0  ?            ?           127.614   0            ?         ?            ?         ?            
1 1 1 72  0  9  x 0  ?            ?           11.454    180          ?         ?            ?         ?            
1 1 1 72  0  8  x 0  ?            ?           13.7925   0            ?         ?            ?         ?            
1 1 1 72  0  7  x 0  ?            ?           217.444   0            ?         ?            ?         ?            
1 1 1 73  7  6  x 0  ?            ?           127.475   11.7592      ?         ?            ?         ?            
1 1 1 73  7  5  x 0  ?            ?           267.534   79.3035      ?         ?            ?         ?            
1 1 1 73  7  4  x 0  ?            ?           192.122   83.7308      ?         ?            ?         ?            
1 1 1 73  7  3  x 0  ?            ?           278.492   -179.522     ?         ?            ?         ?            
1 1 1 73  7  2  x 0  ?            ?           151.446   -51.5819     ?         ?            ?         ?            
1 1 1 73  7  1  x 0  ?            ?           457.053   32.2583      ?         ?            ?         ?            
1 1 1 73  5  11 x 0  ?            ?           381.169   -0.693979    ?         ?            ?         ?            
1 1 1 73  5  10 x 0  ?            ?           172.383   112.398      ?         ?            ?         ?            
1 1 1 73  5  9  x 0  ?            ?           285.541   103.778      ?         ?            ?         ?            
1 1 1 73  5  8  x 0  ?            ?           30.714    -132.164     ?         ?            ?         ?            
1 1 1 73  5  7  x 0  ?            ?           146.191   7.75593      ?         ?            ?         ?            
1 1 1 73  5  6  x 0  ?            ?           147.871   163.455      ?         ?            ?         ?            
1 1 1 73  5  5  x 0  ?            ?           195.024   29.9161      ?         ?            ?         ?            
1 1 1 73  5  4  x 0  ?            ?           126.228   -123.696     ?         ?            ?         ?            
1 1 1 73  3  13 x 0  ?            ?           308.304   107.574      ?         ?            ?         ?            
1 1 1 73  3  12 x 0  ?            ?           143.363   -18.3459     ?         ?            ?         ?            
1 1 1 73  3  11 x 0  ?            ?           179.891   -60.222      ?         ?            ?         ?            
1 1 1 73  3  10 x 0  ?            ?           267.66    -178.275     ?         ?            ?         ?            
1 1 1 73  3  9  x 0  ?            ?           193.117   95.922       ?         ?            ?         ?            
1 1 1 73  3  8  x 0  ?            ?           89.4923   50.1562      ?         ?            ?         ?            
1 1 1 73  3  7  x 0  ?            ?           251.145   -13.6349     ?         ?            ?         ?            
1 1 1 73  3  6  x 0  ?            ?           360.326   -143.465     ?         ?            ?         ?            
1 1 1 73  1  13 x 0  ?            ?           47.7921   -72.419      ?         ?            ?         ?            
1 1 1 73  1  12 x 0  ?            ?           80.474    31.2512      ?         ?            ?         ?            
1 1 1 73  1  11 x 0  ?            ?           243.36    30.7026      ?         ?            ?         ?            
1 1 1 73  1  10 x 0  ?            ?           394.935   -162.153     ?         ?            ?         ?            
1 1 1 73  1  8  x 0  ?            ?           356.965   -0.0999272   ?         ?            ?         ?            
1 1 1 73  1  7  x 0  ?            ?           196.818   -139.349     ?         ?            ?         ?            
1 1 1 74  6  8  x 0  ?            ?           147.28    108.052      ?         ?            ?         ?            
1 1 1 74  6  7  x 0  ?            ?           121.723   129.709      ?         ?            ?         ?            
1 1 1 74  6  6  x 0  ?            ?           160.036   -27.4062     ?         ?            ?         ?            
1 1 1 74  6  5  x 0  ?            ?           321.724   -175.106     ?         ?            ?         ?            
1 1 1 74  6  4  x 0  ?            ?           37.9926   -56.6459     ?         ?            ?         ?            
1 1 1 74  6  3  x 0  ?            ?           181.009   20.3052      ?         ?            ?         ?            
1 1 1 74  6  2  x 0  ?            ?           265.154   60.3594      ?         ?            ?         ?            
1 1 1 74  6  1  x 0  ?            ?           353.369   -148.982     ?         ?            ?         ?            
1 1 1 74  4  11 x 0  ?            ?           176.965   47.1503      ?         ?            ?         ?            
1 1 1 74  4  10 x 0  ?            ?           383.936   79.1911      ?         ?            ?         ?            
1 1 1 74  4  9  x 0  ?            ?           168.391   -179.026     ?         ?            ?         ?            
1 1 1 74  4  8  x 0  ?            ?           96.6653   -40.8787     ?         ?            ?         ?            
1 1 1 74  4  7  x 0  ?            ?           175.715   77.9738      ?         ?            ?         ?            
1 1 1 74  4  6  x 0  ?            ?           156.747   61.0311      ?         ?            ?         ?            
1 1 1 74  4  5  x 0  ?            ?           756.229   -109.831     ?         ?            ?         ?            
1 1 1 74  4  4  x 0  ?            ?           202.772   -95.2056     ?         ?            ?         ?            
1 1 1 74  2  13 x 0  ?            ?           162.797   -11.5447     ?         ?            ?         ?            
1 1 1 74  2  12 x 0  ?            ?           255.365   178.942      ?         ?            ?         ?            
1 1 1 74  2  11 x 0  ?            ?           307.674   88.9483      ?         ?            ?         ?            
1 1 1 74  2  10 x 0  ?            ?           265.39    28.0566      ?         ?            ?         ?            
1 1 1 74  2  9  x 0  ?            ?           104.848   178.763      ?         ?            ?         ?            
1 1 1 74  2  8  x 0  ?            ?           137.977   113.268      ?         ?            ?         ?            
1 1 1 74  2  7  x 0  ?            ?           274.43    -102.201     ?         ?            ?         ?            
1 1 1 74  2  6  x 0  ?            ?           411.892   43.4594      ?         ?            ?         ?            
1 1 1 74  0  13 x 0  ?            ?           235.57    0            ?         ?            ?         ?            
1 1 1 74  0  11 x 0  ?            ?           249.43    180          ?         ?            ?         ?            
1 1 1 74  0  10 x 0  ?            ?           83.0561   0            ?         ?            ?         ?            
1 1 1 74  0  9  x 0  ?            ?           192.537   180          ?         ?            ?         ?            
1 1 1 74  0  8  x 0  ?            ?           285.781   180          ?         ?            ?         ?            
1 1 1 74  0  7  x 0  ?            ?           58.195    0            ?         ?            ?         ?            
1 1 1 74  0  6  x 0  ?            ?           379.327   0            ?         ?            ?         ?            
1 1 1 75  5  8  x 0  ?            ?           149.667   -162.082     ?         ?            ?         ?            
1 1 1 75  5  7  x 0  ?            ?           79.1467   -113.215     ?         ?            ?         ?            
1 1 1 75  5  6  x 0  ?            ?           237.693   4.75338      ?         ?            ?         ?            
1 1 1 75  5  5  x 0  ?            ?           378.557   46.3429      ?         ?            ?         ?            
1 1 1 75  5  4  x 0  ?            ?           145.159   124.334      ?         ?            ?         ?            
1 1 1 75  5  3  x 0  ?            ?           130.721   -154.721     ?         ?            ?         ?            
1 1 1 75  5  2  x 0  ?            ?           218.566   -150.504     ?         ?            ?         ?            
1 1 1 75  3  11 x 0  ?            ?           211.837   168.053      ?         ?            ?         ?            
1 1 1 75  3  10 x 0  ?            ?           106.874   -69.25       ?         ?            ?         ?            
1 1 1 75  3  8  x 0  ?            ?           237.99    -143.792     ?         ?            ?         ?            
1 1 1 75  3  7  x 0  ?            ?           148.889   110.831      ?         ?            ?         ?            
1 1 1 75  3  6  x 0  ?            ?           162.917   -166.014     ?         ?            ?         ?            
1 1 1 75  3  5  x 0  ?            ?           264.151   -133.095     ?         ?            ?         ?            
1 1 1 75  3  4  x 0  ?            ?           135.984   128.349      ?         ?            ?         ?            
1 1 1 75  1  12 x 0  ?            ?           146.435   -0.414844    ?         ?            ?         ?            
1 1 1 75  1  11 x 0  ?            ?           158.937   -86.4304     ?         ?            ?         ?            
1 1 1 75  1  10 x 0  ?            ?           264.566   -179.522     ?         ?            ?         ?            
1 1 1 75  1  9  x 0  ?            ?           226.111   16.1172      ?         ?            ?         ?            
1 1 1 75  1  8  x 0  ?            ?           175.974   -15.8528     ?         ?            ?         ?            
1 1 1 75  1  7  x 0  ?            ?           197.864   89.8503      ?         ?            ?         ?            
1 1 1 75  1  6  x 0  ?            ?           235.751   5.97534      ?         ?            ?         ?            
1 1 1 75  1  5  x 0  ?            ?           273.997   -120.256     ?         ?            ?         ?            
1 1 1 76  4  9  x 0  ?            ?           85.0958   -16.6694     ?         ?            ?         ?            
1 1 1 76  4  8  x 0  ?            ?           55.7497   83.7652      ?         ?            ?         ?            
1 1 1 76  4  6  x 0  ?            ?           264.03    -67.047      ?         ?            ?         ?            
1 1 1 76  4  5  x 0  ?            ?           348.854   83.9597      ?         ?            ?         ?            
1 1 1 76  4  4  x 0  ?            ?           167.978   102.705      ?         ?            ?         ?            
1 1 1 76  4  3  x 0  ?            ?           143.667   -100.055     ?         ?            ?         ?            
1 1 1 76  4  2  x 0  ?            ?           326.838   -46.1869     ?         ?            ?         ?            
1 1 1 76  2  11 x 0  ?            ?           236.981   -71.1314     ?         ?            ?         ?            
1 1 1 76  2  10 x 0  ?            ?           111.261   -162.129     ?         ?            ?         ?            
1 1 1 76  2  9  x 0  ?            ?           111.583   94.3102      ?         ?            ?         ?            
1 1 1 76  2  8  x 0  ?            ?           56.3488   -43.0518     ?         ?            ?         ?            
1 1 1 76  2  7  x 0  ?            ?           89.3652   96.8341      ?         ?            ?         ?            
1 1 1 76  2  6  x 0  ?            ?           336.077   -104.002     ?         ?            ?         ?            
1 1 1 76  2  5  x 0  ?            ?           127.844   -105.398     ?         ?            ?         ?            
1 1 1 76  2  4  x 0  ?            ?           351.844   37.6815      ?         ?            ?         ?            
1 1 1 76  0  11 x 0  ?            ?           91.5469   0            ?         ?            ?         ?            
1 1 1 76  0  10 x 0  ?            ?           245.383   0            ?         ?            ?         ?            
1 1 1 76  0  9  x 0  ?            ?           88.5974   0            ?         ?            ?         ?            
1 1 1 76  0  8  x 0  ?            ?           11.893    0            ?         ?            ?         ?            
1 1 1 76  0  7  x 0  ?            ?           44.7569   0            ?         ?            ?         ?            
1 1 1 76  0  6  x 0  ?            ?           27.184    180          ?         ?            ?         ?            
1 1 1 76  0  5  x 0  ?            ?           9.41626   180          ?         ?            ?         ?            
1 1 1 76  0  4  x 0  ?            ?           381.851   0            ?         ?            ?         ?            
1 1 1 77  3  9  x 0  ?            ?           126.703   -106.279     ?         ?            ?         ?            
1 1 1 77  3  8  x 0  ?            ?           199.397   33.7698      ?         ?            ?         ?            
1 1 1 77  3  7  x 0  ?            ?           213.451   -48.4332     ?         ?            ?         ?            
1 1 1 77  3  6  x 0  ?            ?           370.363   55.9805      ?         ?            ?         ?            
1 1 1 77  3  5  x 0  ?            ?           108.334   50.8597      ?         ?            ?         ?            
1 1 1 77  3  4  x 0  ?            ?           167.806   -105.084     ?         ?            ?         ?            
1 1 1 77  3  3  x 0  ?            ?           426.003   -132.663     ?         ?            ?         ?            
1 1 1 77  3  2  x 0  ?            ?           378.108   55.4071      ?         ?            ?         ?            
1 1 1 77  1  10 x 0  ?            ?           319.351   1.00307      ?         ?            ?         ?            
1 1 1 77  1  9  x 0  ?            ?           157.152   -152.25      ?         ?            ?         ?            
1 1 1 77  1  8  x 0  ?            ?           159.061   166.769      ?         ?            ?         ?            
1 1 1 77  1  7  x 0  ?            ?           285.846   -75.6378     ?         ?            ?         ?            
1 1 1 77  1  6  x 0  ?            ?           348.013   126.299      ?         ?            ?         ?            
1 1 1 77  1  5  x 0  ?            ?           366.317   26.9702      ?         ?            ?         ?            
1 1 1 77  1  4  x 0  ?            ?           340.165   -104.231     ?         ?            ?         ?            
1 1 1 77  1  3  x 0  ?            ?           291.897   -137.897     ?         ?            ?         ?            
1 1 1 78  4  5  x 0  ?            ?           148.342   -27.29       ?         ?            ?         ?            
1 1 1 78  4  4  x 0  ?            ?           199.697   -146.888     ?         ?            ?         ?            
1 1 1 78  2  9  x 0  ?            ?           196.477   -34.4519     ?         ?            ?         ?            
1 1 1 78  2  8  x 0  ?            ?           17.8639   104.28       ?         ?            ?         ?            
1 1 1 78  2  7  x 0  ?            ?           338.097   92.4113      ?         ?            ?         ?            
1 1 1 78  2  6  x 0  ?            ?           249.261   -117.926     ?         ?            ?         ?            
1 1 1 78  2  5  x 0  ?            ?           247.002   128.758      ?         ?            ?         ?            
1 1 1 78  2  4  x 0  ?            ?           330.036   -151.025     ?         ?            ?         ?            
1 1 1 78  2  2  x 0  ?            ?           273.845   -56.1238     ?         ?            ?         ?            
1 1 1 78  2  1  x 0  ?            ?           467.797   32.3756      ?         ?            ?         ?            
1 1 1 78  0  9  x 0  ?            ?           46.2943   0            ?         ?            ?         ?            
1 1 1 78  0  8  x 0  ?            ?           164.851   0            ?         ?            ?         ?            
1 1 1 78  0  7  x 0  ?            ?           373.647   180          ?         ?            ?         ?            
1 1 1 78  0  6  x 0  ?            ?           83.6313   180          ?         ?            ?         ?            
1 1 1 78  0  5  x 0  ?            ?           224.637   180          ?         ?            ?         ?            
1 1 1 78  0  4  x 0  ?            ?           644.389   180          ?         ?            ?         ?            
1 1 1 78  0  3  x 0  ?            ?           161.969   0            ?         ?            ?         ?            
1 1 1 78  0  2  x 0  ?            ?           606.307   0            ?         ?            ?         ?            
1 1 1 79  1  8  x 0  ?            ?           170.819   89.8688      ?         ?            ?         ?            
1 1 1 79  1  7  x 0  ?            ?           233.454   -51.0253     ?         ?            ?         ?            
1 1 1 79  1  5  x 0  ?            ?           251.396   -149.435     ?         ?            ?         ?            
1 1 1 79  1  4  x 0  ?            ?           275.841   5.10691      ?         ?            ?         ?            
1 1 1 79  1  3  x 0  ?            ?           167.888   12.7093      ?         ?            ?         ?            
1 1 1 79  1  2  x 0  ?            ?           278.891   -91.3368     ?         ?            ?         ?            
1 1 1 79  1  1  x 0  ?            ?           322.421   -119.725     ?         ?            ?         ?            
1 1 1 80  0  5  x 0  ?            ?           401.618   0            ?         ?            ?         ?            
1 1 1 80  0  4  x 0  ?            ?           40.9827   180          ?         ?            ?         ?            
1 1 1 80  0  3  x 0  ?            ?           205.707   180          ?         ?            ?         ?            
1 1 1 5   3  24 x 0  ?            ?           177.274   -125.853     ?         ?            ?         ?            
1 1 1 11  9  21 x 0  ?            ?           206.413   -152.381     ?         ?            ?         ?            
1 1 1 13  9  21 x 0  ?            ?           186.22    56.479       ?         ?            ?         ?            
1 1 1 13  7  22 x 0  ?            ?           169.1     -152.716     ?         ?            ?         ?            
1 1 1 14  12 18 x 0  ?            ?           351.969   -13.7744     ?         ?            ?         ?            
1 1 1 15  3  24 x 0  ?            ?           105.951   -19.5536     ?         ?            ?         ?            
1 1 1 16  8  21 x 0  ?            ?           47.8457   -14.3166     ?         ?            ?         ?            
1 1 1 17  13 16 x 0  ?            ?           99.4761   -140.231     ?         ?            ?         ?            
1 1 1 17  5  23 x 0  ?            ?           210.894   -108.051     ?         ?            ?         ?            
1 1 1 18  16 9  x 0  ?            ?           193.018   -54.86       ?         ?            ?         ?            
1 1 1 19  17 5  x 0  ?            ?           106.247   71.1706      ?         ?            ?         ?            
1 1 1 19  11 19 x 0  ?            ?           149.983   59.3219      ?         ?            ?         ?            
1 1 1 20  16 9  x 0  ?            ?           96.5245   -22.2832     ?         ?            ?         ?            
1 1 1 20  10 20 x 0  ?            ?           16.7965   -120.979     ?         ?            ?         ?            
1 1 1 22  14 13 x 0  ?            ?           179.066   -15.9006     ?         ?            ?         ?            
1 1 1 22  8  21 x 0  ?            ?           141.982   162.089      ?         ?            ?         ?            
1 1 1 22  2  24 x 0  ?            ?           288.049   60.9235      ?         ?            ?         ?            
1 1 1 23  13 14 x 0  ?            ?           6.90458   113.772      ?         ?            ?         ?            
1 1 1 25  11 18 x 0  ?            ?           70.105    -172.611     ?         ?            ?         ?            
1 1 1 25  7  20 x 0  ?            ?           353.528   35.5544      ?         ?            ?         ?            
1 1 1 25  3  24 x 0  ?            ?           156.708   -33.5093     ?         ?            ?         ?            
1 1 1 26  6  23 x 0  ?            ?           109.78    -65.9644     ?         ?            ?         ?            
1 1 1 26  2  22 x 0  ?            ?           141.358   7.08215      ?         ?            ?         ?            
1 1 1 26  0  22 x 0  ?            ?           209.59    180          ?         ?            ?         ?            
1 1 1 28  14 13 x 0  ?            ?           202.677   -134.814     ?         ?            ?         ?            
1 1 1 28  2  23 x 0  ?            ?           298.823   -179.914     ?         ?            ?         ?            
1 1 1 30  16 7  x 0  ?            ?           165.711   103.421      ?         ?            ?         ?            
1 1 1 30  2  23 x 0  ?            ?           77.9315   -124.637     ?         ?            ?         ?            
1 1 1 31  1  23 x 0  ?            ?           79.3239   81.4128      ?         ?            ?         ?            
1 1 1 32  12 15 x 0  ?            ?           169.495   -8.63352     ?         ?            ?         ?            
1 1 1 32  2  23 x 0  ?            ?           108.301   -113.115     ?         ?            ?         ?            
1 1 1 32  2  21 x 0  ?            ?           178.632   -113.328     ?         ?            ?         ?            
1 1 1 33  9  20 x 0  ?            ?           356.535   -152.963     ?         ?            ?         ?            
1 1 1 33  1  21 x 0  ?            ?           65.2634   -41.54       ?         ?            ?         ?            
1 1 1 34  12 14 x 0  ?            ?           186.731   171.064      ?         ?            ?         ?            
1 1 1 34  2  23 x 0  ?            ?           136.927   -108.791     ?         ?            ?         ?            
1 1 1 35  11 16 x 0  ?            ?           173.319   -115.341     ?         ?            ?         ?            
1 1 1 35  1  22 x 0  ?            ?           198.554   80.7626      ?         ?            ?         ?            
1 1 1 36  2  22 x 0  ?            ?           180.096   -166.184     ?         ?            ?         ?            
1 1 1 37  5  20 x 0  ?            ?           184.924   -165.531     ?         ?            ?         ?            
1 1 1 37  1  22 x 0  ?            ?           166.676   -173.749     ?         ?            ?         ?            
1 1 1 38  6  21 x 0  ?            ?           177.829   109.162      ?         ?            ?         ?            
1 1 1 39  13 12 x 0  ?            ?           29.9421   66.2044      ?         ?            ?         ?            
1 1 1 40  10 15 x 0  ?            ?           308.842   117.594      ?         ?            ?         ?            
1 1 1 40  4  20 x 0  ?            ?           224.746   -179.885     ?         ?            ?         ?            
1 1 1 42  10 15 x 0  ?            ?           106.504   -129.844     ?         ?            ?         ?            
1 1 1 42  2  19 x 0  ?            ?           37.0721   -158.52      ?         ?            ?         ?            
1 1 1 43  11 14 x 0  ?            ?           126.418   -115.991     ?         ?            ?         ?            
1 1 1 43  1  20 x 0  ?            ?           184.342   159.889      ?         ?            ?         ?            
1 1 1 45  5  21 x 0  ?            ?           98.1869   -91.3868     ?         ?            ?         ?            
1 1 1 46  10 17 x 0  ?            ?           168.78    155.622      ?         ?            ?         ?            
1 1 1 46  0  20 x 0  ?            ?           170.393   180          ?         ?            ?         ?            
1 1 1 47  13 9  x 0  ?            ?           202.561   -46.8326     ?         ?            ?         ?            
1 1 1 47  5  21 x 0  ?            ?           149.978   2.52908      ?         ?            ?         ?            
1 1 1 48  10 14 x 0  ?            ?           111.589   -175.272     ?         ?            ?         ?            
1 1 1 48  8  14 x 0  ?            ?           443.804   138.372      ?         ?            ?         ?            
1 1 1 48  2  22 x 0  ?            ?           76.6319   56.4398      ?         ?            ?         ?            
1 1 1 48  2  18 x 0  ?            ?           257.025   151.492      ?         ?            ?         ?            
1 1 1 48  0  20 x 0  ?            ?           72.817    0            ?         ?            ?         ?            
1 1 1 49  13 10 x 0  ?            ?           223.374   -138.023     ?         ?            ?         ?            
1 1 1 49  11 11 x 0  ?            ?           392.326   -55.1554     ?         ?            ?         ?            
1 1 1 50  10 13 x 0  ?            ?           70.6606   -49.1018     ?         ?            ?         ?            
1 1 1 50  8  14 x 0  ?            ?           236.328   -126.36      ?         ?            ?         ?            
1 1 1 50  6  15 x 0  ?            ?           407.565   -59.1555     ?         ?            ?         ?            
1 1 1 51  1  19 x 0  ?            ?           179.283   -100.151     ?         ?            ?         ?            
1 1 1 52  10 12 x 0  ?            ?           467.393   -21.9415     ?         ?            ?         ?            
1 1 1 52  10 11 x 0  ?            ?           341.839   -122.307     ?         ?            ?         ?            
1 1 1 53  13 4  x 0  ?            ?           444.235   125.042      ?         ?            ?         ?            
1 1 1 53  5  15 x 0  ?            ?           18.028    -156.609     ?         ?            ?         ?            
1 1 1 53  1  19 x 0  ?            ?           159.042   149.093      ?         ?            ?         ?            
1 1 1 53  1  18 x 0  ?            ?           114.834   122.326      ?         ?            ?         ?            
1 1 1 53  1  17 x 0  ?            ?           123.284   151.523      ?         ?            ?         ?            
1 1 1 54  10 10 x 0  ?            ?           148.28    92.0707      ?         ?            ?         ?            
1 1 1 54  4  18 x 0  ?            ?           186.305   132.135      ?         ?            ?         ?            
1 1 1 55  7  17 x 0  ?            ?           60.3169   -172.417     ?         ?            ?         ?            
1 1 1 57  3  16 x 0  ?            ?           194.703   -166.75      ?         ?            ?         ?            
1 1 1 58  6  12 x 0  ?            ?           434.977   -118.369     ?         ?            ?         ?            
1 1 1 58  4  14 x 0  ?            ?           223.714   -54.4877     ?         ?            ?         ?            
1 1 1 58  2  18 x 0  ?            ?           144.659   176.455      ?         ?            ?         ?            
1 1 1 59  7  12 x 0  ?            ?           352.492   113.989      ?         ?            ?         ?            
1 1 1 59  5  15 x 0  ?            ?           76.5752   -128.338     ?         ?            ?         ?            
1 1 1 60  4  17 x 0  ?            ?           55.6503   36.1137      ?         ?            ?         ?            
1 1 1 60  2  16 x 0  ?            ?           51.2384   -101.946     ?         ?            ?         ?            
1 1 1 60  0  16 x 0  ?            ?           144.599   0            ?         ?            ?         ?            
1 1 1 61  11 6  x 0  ?            ?           36.0295   130.296      ?         ?            ?         ?            
1 1 1 61  9  7  x 0  ?            ?           229.554   -75.4065     ?         ?            ?         ?            
1 1 1 61  3  18 x 0  ?            ?           104.162   -1.52906     ?         ?            ?         ?            
1 1 1 62  10 10 x 0  ?            ?           53.4578   -81.2559     ?         ?            ?         ?            
1 1 1 62  10 9  x 0  ?            ?           193.451   -52.6146     ?         ?            ?         ?            
1 1 1 62  6  14 x 0  ?            ?           106.202   21.7444      ?         ?            ?         ?            
1 1 1 63  7  9  x 0  ?            ?           28.4481   -95.9073     ?         ?            ?         ?            
1 1 1 64  10 6  x 0  ?            ?           162.967   154.724      ?         ?            ?         ?            
1 1 1 64  2  12 x 0  ?            ?           331.356   -101.589     ?         ?            ?         ?            
1 1 1 65  3  13 x 0  ?            ?           260.939   105.298      ?         ?            ?         ?            
1 1 1 66  4  15 x 0  ?            ?           274.961   -84.903      ?         ?            ?         ?            
1 1 1 67  9  3  x 0  ?            ?           285.257   -111.907     ?         ?            ?         ?            
1 1 1 68  8  6  x 0  ?            ?           471.63    16.5378      ?         ?            ?         ?            
1 1 1 68  6  8  x 0  ?            ?           296.783   -48.1233     ?         ?            ?         ?            
1 1 1 70  6  11 x 0  ?            ?           197.62    -168.726     ?         ?            ?         ?            
1 1 1 70  4  13 x 0  ?            ?           166.786   112.959      ?         ?            ?         ?            
1 1 1 70  4  10 x 0  ?            ?           193.486   -163.231     ?         ?            ?         ?            
1 1 1 71  3  7  x 0  ?            ?           147.173   155.304      ?         ?            ?         ?            
1 1 1 72  2  7  x 0  ?            ?           37.866    -165.377     ?         ?            ?         ?            
1 1 1 73  1  9  x 0  ?            ?           80.6593   132.021      ?         ?            ?         ?            
1 1 1 74  0  12 x 0  ?            ?           79.3428   180          ?         ?            ?         ?            
1 1 1 75  5  9  x 0  ?            ?           170.938   -42.2765     ?         ?            ?         ?            
1 1 1 75  3  9  x 0  ?            ?           135.92    -35.8736     ?         ?            ?         ?            
1 1 1 76  4  7  x 0  ?            ?           217.482   4.43636      ?         ?            ?         ?            
1 1 1 78  2  3  x 0  ?            ?           186.177   99.9395      ?         ?            ?         ?            
1 1 1 79  1  6  x 0  ?            ?           158.322   6.42769      ?         ?            ?         ?            
# 
#END OF REFLECTIONS
